 Entering Gaussian System, Link 0=g16
 Input=08_d-glucose_conformer021_B3LYPDBJ-def2SVPDr.in
 Output=08_d-glucose_conformer021_B3LYPDBJ-def2SVPDr.log
 AtFile(1): /user/pierpa/basis_sets/def2SVPD.gbs
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            P    1   1.00
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            D    4   1.00
                 19.240334928            0.27039082144D-01
                  5.1178995899           0.13803684743
                  1.6554278827           0.34869086403
                  0.54016355610          0.48594185717
            D    1   1.00
                  0.16211214518           .34374449689
            F    1   1.00
                  0.3450000              1.0000000
            ****
            -Ti     0
            S    6   1.00
              42961.5121850              0.39127635355D-02
               6450.9759169              0.29969820489D-01
               1467.7210915              0.14836352707
                414.20997355             0.51347285324
                134.48715840             1.0335365483
                 46.122209796            0.77854233930
            S    3   1.00
                 89.447762543           -0.28385401259
                 10.223346060            1.6772785333
                  4.1353774271           1.2411928456
            S    3   1.00
                  6.7896181452          -0.78399994518D-02
                  1.1106730691           0.25495493019D-01
                  0.47565975578          0.16061172892D-01
            S    1   1.00
                  0.65986956934D-01      1.0000000
            S    1   1.00
                  0.25210342250D-01      1.0000000
            P    5   1.00
                522.03684782             0.19754179642D-01
                122.68649489             0.14460677619
                 38.572903611            0.54669004165
                 13.672169319            1.0531647540
                  5.0118529359           0.69111213363
            P    3   1.00
                  2.4131928282           0.75803437136
                  0.93252270050          1.3036241399
                  0.35429058390          0.53638653300
            P    1   1.00
                  0.1015610              1.0000000
            P    1   1.00
                  0.35788253200D-01      1.0000000
            D    4   1.00
                 23.465125957            0.26536380115D-01
                  6.3332593832           0.13796453963
                  2.0766489946           0.35312644228
                  0.69027361954          0.48647124166
            D    1   1.00
                  0.21088738554           .33026314258
            F    1   1.00
                  0.5620000              1.0000000
            ****
            -V     0
            S    6   1.00
              47160.3760600              0.14498688908D-02
               7081.4110871              0.11106435251D-01
               1611.1621223              0.55005423585D-01
                454.72940551             0.19060252591
                147.71321208             0.38435022957
                 50.699538950            0.29095546792
            S    3   1.00
                 98.262492669           -0.10942337856
                 11.294293099            0.64539490399
                  4.5853360105           0.47117880777
            S    3   1.00
                  7.6359689588          -0.22454949054
                  1.2539836689           0.72594852764
                  0.53271935387          0.45560582748
            S    1   1.00
                  0.72246239566D-01      1.0000000
            S    1   1.00
                  0.27358087448D-01      1.0000000
            P    5   1.00
                580.55044988             0.97315110917D-02
                136.52341127             0.71531241137D-01
                 42.983958820            0.27197688414
                 15.282798763            0.52618988893
                  5.6202495154           0.34452533498
            P    3   1.00
                  2.7485386415           0.34040396496
                  1.0618550073           0.57983996120
                  0.40235518645          0.23911643083
            P    1   1.00
                  0.1112480              1.0000000
            P    1   1.00
                  0.35000888460D-01      1.0000000
            D    4   1.00
                 27.358434017            0.26641927050D-01
                  7.4540604253           0.13995311726
                  2.4633917847           0.35751066639
                  0.82480925277          0.48488354148
            D    1   1.00
                  0.25257904742           .32332844995
            F    1   1.00
                  0.8310000              1.0000000
            ****
            -Cr     0
            S    6   1.00
              51528.0863490              0.14405823106D-02
               7737.2103487              0.11036202287D-01
               1760.3748470              0.54676651806D-01
                496.87706544             0.18965038103
                161.46520598             0.38295412850
                 55.466352268            0.29090050668
            S    3   1.00
                107.54732999            -0.10932281100
                 12.408671897            0.64472599471
                  5.0423628826           0.46262712560
            S    3   1.00
                  8.5461640165          -0.22711013286
                  1.3900441221           0.73301527591
                  0.56066602876          0.44225565433
            S    1   1.00
                  0.71483705972D-01      1.0000000
            S    1   1.00
                  0.28250687604D-01      1.0000000
            P    5   1.00
                640.48536096             0.96126715203D-02
                150.69711194             0.70889834655D-01
                 47.503755296            0.27065258990
                 16.934120165            0.52437343414
                  6.2409680590           0.34107994714
            P    3   1.00
                  3.0885463206           0.33973986903
                  1.1791047769           0.57272062927
                  0.43369774432          0.24582728206
            P    1   1.00
                  0.1206750              1.0000000
            P    1   1.00
                  0.33978554488D-01      1.0000000
            D    4   1.00
                 27.559479426            0.30612488044D-01
                  7.4687020327           0.15593270944
                  2.4345903574           0.36984421276
                  0.78244754808          0.47071118077
            D    1   1.00
                  0.21995774311           .33941649889
            F    1   1.00
                  1.1470000              1.0000000
            ****
            -Mn     0
            S    6   1.00
              56137.0090370              0.14321304702D-02
               8429.2063943              0.10972509162D-01
               1917.8277233              0.54382468712D-01
                541.36230198             0.18884335129
                176.00069142             0.38198025054
                 60.500477010            0.29156772596
            S    3   1.00
                117.17282882            -0.10933661328
                 13.596973368            0.64305039431
                  5.5483996341           0.45848970584
            S    3   1.00
                  9.4662853530          -0.22538977259
                  1.5595006070           0.72307758657
                  0.65230205868          0.45300721536
            S    1   1.00
                  0.84003734475D-01      1.0000000
            S    1   1.00
                  0.31256098581D-01      1.0000000
            P    5   1.00
                706.00497535             0.95055518167D-02
                166.19728820             0.70356271142D-01
                 52.452061906            0.27005556982
                 18.746932862            0.52574344602
                  6.9282991622           0.34254033223
            P    3   1.00
                  3.4772204938           0.33994073736
                  1.3406906449           0.57203836254
                  0.50498803038          0.23847605831
            P    1   1.00
                  0.1276500              1.0000000
            P    1   1.00
                  0.36336999053D-01      1.0000000
            D    4   1.00
                 35.423264935            0.26985304111D-01
                  9.7814221451           0.14383458648
                  3.2673488767           0.36418958377
                  1.1026472189           0.48152670661
            D    1   1.00
                  0.33743205934           .31458754360
            F    1   1.00
                  1.3260000              1.0000000
            ****
            -Fe     0
            S    6   1.00
              60923.6406430              0.14302254466D-02
               9147.8893982              0.10958790038D-01
               2081.3505927              0.54332554248D-01
                587.55977067             0.18884995009
                191.09043990             0.38253069946
                 65.732730112            0.29308335984
            S    3   1.00
                127.25891928            -0.10964564925
                 14.830913010            0.64387631332
                  6.0653307408           0.45472347323
            S    3   1.00
                 10.449943710           -0.22539639952
                  1.7245228003           0.72164398156
                  0.71772177325          0.44985492922
            S    1   1.00
                  0.91449828308D-01      1.0000000
            S    1   1.00
                  0.33706691021D-01      1.0000000
            P    5   1.00
                773.43750995             0.94325735144D-02
                182.15149714             0.70029620575D-01
                 57.547272758            0.26993651996
                 20.614988935            0.52700011047
                  7.6348557890           0.34284148028
            P    3   1.00
                  3.8719327990           0.33974402988
                  1.4924724132           0.56842594005
                  0.56061284958          0.23649365839
            P    1   1.00
                  0.1349150              1.0000000
            P    1   1.00
                  0.36933633962D-01      1.0000000
            D    4   1.00
                 38.968133419            0.27879664382D-01
                 10.800067078            0.14858319982
                  3.6136457999           0.36905479496
                  1.2129967888           0.47745100883
            D    1   1.00
                  0.36524393170           .31418142304
            F    1   1.00
                  1.5980000              1.0000000
            ****
            -Co     0
            S    6   1.00
              65902.2082570              0.14284614936D-02
               9895.3896027              0.10946072783D-01
               2251.4305789              0.54285953890D-01
                635.61097084             0.18885179079
                206.78820681             0.38301634994
                 71.179242971            0.29443551266
            S    3   1.00
                137.77268040            -0.10990221736
                 16.118079243            0.64455537395
                  6.6030327710           0.45116787924
            S    3   1.00
                 11.479915788           -0.22593846910
                  1.8956426324           0.72231409008
                  0.78466232067          0.44903812296
            S    1   1.00
                  0.98425774432D-01      1.0000000
            S    1   1.00
                  0.35945741932D-01      1.0000000
            P    5   1.00
                843.64358575             0.93866097254D-02
                198.76386994             0.69880208716D-01
                 62.854963098            0.27037070345
                 22.562842280            0.52904786880
                  8.3713209127           0.34357029579
            P    3   1.00
                  4.2858719800           0.34027999036
                  1.6508041817           0.56693392384
                  0.61834231096          0.23617979783
            P    1   1.00
                  0.1413080              1.0000000
            P    1   1.00
                  0.37744197011D-01      1.0000000
            D    4   1.00
                 42.927867612            0.28487788365D-01
                 11.942533053            0.15206951283
                  4.0046495664           0.37310913999
                  1.3413193804           0.47549837676
            D    1   1.00
                  0.40015009743           .31346831424
            F    1   1.00
                  1.9030000              1.0000000
            ****
            -Ni     0
            S    6   1.00
              71074.8032110              0.14260386729D-02
              10672.0209410              0.10928236994D-01
               2428.1389007              0.54212626938D-01
                685.53595148             0.18874768902
                223.10072863             0.38324616985
                 76.842014042            0.29550637144
            S    3   1.00
                148.71122016            -0.11014443059
                 17.459154987            0.64521426988
                  7.1625280665           0.44797838103
            S    3   1.00
                 12.556137125           -0.22645403224
                  2.0735740488           0.72320959286
                  0.85382640602          0.44868026476
            S    1   1.00
                  0.10536766271          1.0000000
            S    1   1.00
                  0.38134087688D-01      1.0000000
            P    5   1.00
                916.73608662             0.93439635610D-02
                216.06139913             0.69737374902D-01
                 68.383914817            0.27073495012
                 24.593843952            0.53078301549
                  9.1392960204           0.34410229438
            P    3   1.00
                  4.7193371746           0.34076082016
                  1.8161849234           0.56580169611
                  0.67840750720          0.23616717361
            P    1   1.00
                  0.1465880              1.0000000
            P    1   1.00
                  0.38905548722D-01      1.0000000
            D    4   1.00
                 47.093832108            0.28982316948D-01
                 13.146463975            0.15494995950
                  4.4170548925           0.37633115111
                  1.4771565078           0.47365096014
            D    1   1.00
                  0.43735921792           .31247837833
            F    1   1.00
                  2.1740000              1.0000000
            ****
            -Cu     0
            S    6   1.00
              76381.3480560              0.14336079896D-02
              11468.7774990              0.10986749865D-01
               2609.4246495              0.54513652465D-01
                736.75033098             0.18990128258
                239.82419958             0.38581959211
                 82.656829252            0.29790607498
            S    3   1.00
                160.13544196            -0.11146778567
                 18.834177695            0.65349301031
                  7.7176595741           0.44770534421
            S    3   1.00
                 13.710846717           -0.22870911122
                  2.2349895670           0.73464423031
                  0.87818360069          0.43273070874
            S    1   1.00
                  0.87187458064D-01      1.0000000
            S    1   1.00
                  0.32969114665D-01      1.0000000
            P    5   1.00
                991.24075782             0.93878498798D-02
                233.69376116             0.70208282458D-01
                 74.020930927            0.27323522220
                 26.664967447            0.53580792728
                  9.9192087478           0.34575794906
            P    3   1.00
                  5.1519553926           0.34229108083
                  1.9638205828           0.56456592484
                  0.71560097037          0.24078584318
            P    1   1.00
                  0.1550650              1.0000000
            P    1   1.00
                  0.38734214974D-01      1.0000000
            D    4   1.00
                 47.335049590            0.32375547758D-01
                 13.161666077            0.16810218684
                  4.3693777244           0.38477707982
                  1.4132925109           0.46147880178
            D    1   1.00
                  0.38878001452           .32388873258
            F    1   1.00
                  2.2330000              1.0000000
            ****
            -Zn     0
            S    6   1.00
              82000.7116290              0.14210764000D-02
              12312.4717770              0.10891499487D-01
               2801.3944193              0.54057188059D-01
                790.99424302             0.18847463904
                257.56551079             0.38346549346
                 88.814933400            0.29723794197
            S    3   1.00
                171.86353716            -0.11051849523
                 20.302534785            0.64607716984
                  8.3464123068           0.44220117322
            S    3   1.00
                 14.847536940           -0.22705309278
                  2.4495029507           0.72433217935
                  0.99845821824          0.44836495592
            S    1   1.00
                  0.11891307937          1.0000000
            S    1   1.00
                  0.42297428760D-01      1.0000000
            P    5   1.00
               1071.5185372              0.92767797235D-02
                252.69712152             0.69541149434D-01
                 80.100829126            0.27156772564
                 28.903393172            0.53401355573
                 10.768899879            0.34501323446
            P    3   1.00
                  5.6446212530           0.34129600164
                  2.1678291347           0.56390521973
                  0.80540898341          0.23676109735
            P    1   1.00
                  0.1624550              1.0000000
            P    1   1.00
                  0.42022716037D-01      1.0000000
            D    4   1.00
                 56.088939191            0.29588869140D-01
                 15.751908917            0.158725714045
                  5.3115812367           0.379762291591
                  1.7737904917           0.468989591719
            D    1   1.00
                  0.51975583665           .309071490776
            F    1   1.00
                  2.6140000              1.0000000
            ****
            -Ga     0
            S    6   1.00
              87842.1262960              0.14271588798D-02
              13189.4964020              0.10938894097D-01
               3000.9482141              0.54308200127D-01
                847.38425966             0.18951055983
                276.00980642             0.38615185918
                 95.216672071            0.30051082719
            S    3   1.00
                184.00703968            -0.11124461963
                 21.827051433            0.64831322918
                  9.0026963761           0.44358383594
            S    3   1.00
                 16.033176938           -0.23014299555
                  2.6707724878           0.72946861516
                  1.1252834170           0.46214976951
            S    1   1.00
                  0.15967608829          1.0000000
            S    1   1.00
                  0.57643044753D-01      1.0000000
            S    1   1.00
                  0.31819812628D-01      1.0000000
            P    5   1.00
               1167.2665844              0.90974021307D-02
                275.38062789             0.68456273343D-01
                 87.375073070            0.26922293888
                 31.597254670            0.53507897882
                 11.824122798            0.35279062760
            P    3   1.00
                  6.2881845133           0.33938244530
                  2.5199853240           0.56871947608
                  1.0169726306           0.27717694939
            P    1   1.00
                  0.24748373604          1.0000000
            P    1   1.00
                  0.66685294163D-01      1.0000000
            D    4   1.00
                 65.354237674            0.27370146382D-01
                 18.504656747            0.15099463976
                  6.3179620632           0.37485328545
                  2.1641389426           0.47510606851
            D    1   1.00
                  0.66693092754           .29843287401
            D    1   1.00
                  0.2070000              1.0000000
            D    1   1.00
                  0.49799390975D-01      1.0000000
            ****
            -Ge     0
            S    6   1.00
              93889.8366420              0.14233976060D-02
              14097.4975280              0.10910795654D-01
               3207.5477309              0.54183705943D-01
                905.76727269             0.18922820349
                295.11014693             0.38612847001
                101.84713141             0.30164050736
            S    3   1.00
                196.56719662            -0.11118770940
                 23.405292522            0.64616007369
                  9.6839116702           0.44188904568
            S    3   1.00
                 17.269736544           -0.23027421375
                  2.8964622160           0.73017169398
                  1.2553621412           0.46197222255
            S    1   1.00
                  0.20213081492          1.0000000
            S    1   1.00
                  0.73867910982D-01      1.0000000
            S    1   1.00
                  0.43410224935D-01      1.0000000
            P    5   1.00
               1259.2085995              0.90115464252D-02
                297.15626382             0.67986841689D-01
                 94.353387522            0.26853856488
                 34.176329677            0.53659649219
                 12.816139615            0.35633514961
            P    3   1.00
                  6.8471029784           0.33900693119
                  2.7717363939           0.56809365264
                  1.1458418175           0.27246539884
            P    1   1.00
                  0.30679631536          1.0000000
            P    1   1.00
                  0.89283644115D-01      1.0000000
            D    4   1.00
                 74.782168177            0.25755860205D-01
                 21.310849759            0.14536816132
                  7.3464792363           0.37134209859
                  2.5656271395           0.48002998436
            D    1   1.00
                  0.81981773070           .28978790744
            D    1   1.00
                  0.2460000              1.0000000
            D    1   1.00
                  0.66328328796D-01      1.0000000
            ****
            -As     0
            S    6   1.00
             100146.5255400              0.14258349617D-02
              15036.8617110              0.10930176963D-01
               3421.2902833              0.54294174610D-01
                966.16965717             0.18976078153
                314.87394026             0.38775195453
                108.70823790             0.30402812040
            S    3   1.00
                209.54238950            -0.11162094204
                 25.038221139            0.64697607762
                 10.390964343            0.44223608673
            S    3   1.00
                 18.555090093           -0.22994190569
                  3.1281217449           0.73319107613
                  1.3884885073           0.45533653943
            S    1   1.00
                  0.24714362141          1.0000000
            S    1   1.00
                  0.91429428670D-01      1.0000000
            S    1   1.00
                  0.55939685220D-01      1.0000000
            P    5   1.00
               1355.6443507              0.89182507898D-02
                319.99929270             0.67454750717D-01
                101.67734092             0.26759772110
                 36.886323845            0.53776844520
                 13.861115909            0.35992570244
            P    3   1.00
                  7.4260666912           0.34036849637
                  3.0316247187           0.57030149334
                  1.2783078340           0.26606170238
            P    1   1.00
                  0.37568503356          1.0000000
            P    1   1.00
                  0.11394805454          1.0000000
            D    4   1.00
                 84.445514539            0.24518402724D-01
                 24.190416102            0.14107454677
                  8.4045015119           0.36875228915
                  2.9808970748           0.48409561362
            D    1   1.00
                  0.97909243359           .28250268781
            D    1   1.00
                  0.2930000              1.0000000
            D    1   1.00
                  0.84097628016D-01      1.0000000
            ****
            -Se     0
            S    6   1.00
             106612.2002700              0.14274889113D-02
              16007.6047010              0.10943525114D-01
               3642.1699707              0.54374171596D-01
               1028.5912993              0.19018092947
                335.30298888             0.38913021696
                115.80129154             0.30620207088
            S    3   1.00
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            ****
            -Sb     0
            S    6   1.00
                372.76139166             0.15878057239D-02
                 22.689478596           -0.15027605583
                 18.391547037            0.35915813039
                  7.6406271414          -0.74805091065
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            S    2   1.00
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            S    1   1.00
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                 10.052739237           -0.41511149340
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            P    1   1.00
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            P    1   1.00
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                 18.504059617           -0.54952972010D-02
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                  1.7142196009           0.51273377761
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            D    1   1.00
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            ****
            -Te     0
            S    6   1.00
                396.47954659             0.26307731203D-02
                 21.919773309           -0.13203517066
                 18.061271390            0.36203197834
                  8.1403463241          -0.75591120276
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            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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                 10.433943171           -0.41205302672
                  1.3623024763           0.78760578076
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 18.884095378           -0.35221408938D-02
                  4.2527304630           0.28254216065
                  1.8757557092           0.52039372916
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            D    1   1.00
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            D    1   1.00
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            ****
            -I     0
            S    6   1.00
                445.90489176             0.20037290389D-02
                 23.336842412           -0.14989397324
                 19.583446104            0.36436474913
                  8.5112089186          -0.75538138199
                  2.1996161861           0.82816359356
                  1.0668970454           0.42161048110
            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 20.499027254            0.77159335656D-01
                 10.558754576           -0.38370372780
                  1.5015895485           0.83554174719
                  0.64597173095          0.16787259488
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 51.235354920            0.40345130346D-02
                 15.616239482           -0.50768108881D-02
                  4.5266002139           0.29151065356
                  2.0529808766           0.51145783605
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            D    1   1.00
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            D    1   1.00
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            ****
            -Xe     0
            S    5   1.00
               6420.2481656              0.25092173886D-03
                983.54530664             0.16251948178D-02
                219.43881364             0.46037106451D-02
                 23.012587807           -0.14698707182
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            S    2   1.00
                 11.752550163            0.66038420156
                  6.2390917199           0.38470524721
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 13.960683826           -0.50950157807D-01
                  4.0928947097           0.36669211800
                  2.2546815460           0.72619456861
                  1.1546596184           0.35555871740
            P    3   1.00
                193.81432545             0.95394802497D-03
                 21.725228086            0.57393353332D-01
                  9.8891605641          -0.27974266640
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    6   1.00
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                 38.727062692            0.60897654151D-02
                 15.377328089           -0.92782985596D-02
                  5.2602537686           0.22890785589
                  2.6590627424           0.44434407051
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            D    1   1.00
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            ****
            -Cs     0
            S    3   1.00
                  5.8778113443           0.12859994983
                  4.3631538286          -0.34632569725
                  1.8048475155           0.69930637051
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  1.9656663360          -0.25019961976
                  0.47689195212          0.55660850066
                  0.21529749588          0.58218553406
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    1   1.00
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            D    1   1.00
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            ****
            -Ba     0
            S    3   1.00
                  2.3961900000          -5.9554766710
                  2.2433050000           6.6805648241
                  0.71740200000         -0.57055347037
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.5207180000          -1.0707548832
                  0.67578180854          0.34940781448
                  0.31985844531          0.65041110673
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.1038910              0.4732600
            D    1   1.00
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            F    4   1.00
                 10.00                   0.073
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                  1.00                   0.350
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            ****
            -La     0
            S    2   1.00
                  5.0873990000          -0.44173707857
                  4.2709780000           0.85812489720
            S    1   1.00
                  2.1823803999           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.3820950000           0.51718364643673D+00
                  0.67246658081         -0.44823115995325D+00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.89049882672          0.25137236211233D+00
                  0.32947291040          0.44604068239531D+00
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            D    1   1.00
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            ****
            -Hf     0
            S    2   1.00
                 14.592485000           -0.80196298812
                 11.547491000            1.5261602829
            S    1   1.00
                  4.9112973928           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  5.9599790000          -0.83713508620273
                  1.0921117054           0.50570506286223
                  0.49702823217          0.51965388690539
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  1.3077987772           0.18409232564002
                  0.53272310298          0.41484423515705
                  0.20564954488          0.44224303496859
            D    1   1.00
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            F    1   1.00
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            ****
            -Ta     0
            S    2   1.00
                 14.400000000            0.99343296745
                 12.000000000           -1.6510077975
            S    1   1.00
                  5.0701477302           1.0000000
            S    1   1.00
                  0.86033356487          1.0000000
            S    1   1.00
                  0.37158938894          1.0000000
            S    1   1.00
                  0.10745336254          1.0000000
            S    1   1.00
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                  5.6984100000          -0.46968874449
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                  0.54478533555          0.52298161137
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.61042908544          0.42959071631
                  0.24216276510          0.43497228231503D+00
            D    1   1.00
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            ****
            -W     0
            S    2   1.00
                 15.000000000           -0.53315505392
                 12.000000000            1.0014141748
            S    1   1.00
                  5.2610967725           1.0000000
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                  0.11585976646          1.0000000
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                  6.0848760000          -0.66720686321
                  1.2523777812           0.52090351989
                  0.58569208922          0.51885687511
            P    1   1.00
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            D    4   1.00
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                  0.69187452392          0.44121676843
                  0.27865835325          0.43158409241461D+00
            D    1   1.00
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            ****
            -Re     0
            S    2   1.00
                 14.781862000           -1.1395193885
                 12.324075000            1.9371421121
            S    1   1.00
                  5.5098597284           1.0000000
            S    1   1.00
                  0.98874104687          1.0000000
            S    1   1.00
                  0.42833312030          1.0000000
            S    1   1.00
                  0.12296804533          1.0000000
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            P    4   1.00
                  7.4040050000           0.54510937865
                  6.3502060000          -0.76096056536
                  1.3311713455           0.53252276765
                  0.62659600547          0.51483045040
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.78702048429          0.45160766937
                  0.32069843172          0.43261236265745D+00
            D    1   1.00
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                  0.4898900              1.0000000
            ****
            -Os     0
            S    2   1.00
                 15.286736000           -1.0647114485
                 12.700638000            1.8433193269
            S    1   1.00
                  5.7094832504           1.0000000
            S    1   1.00
                  1.0689228744           1.0000000
            S    1   1.00
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            S    1   1.00
                  0.13253456992          1.0000000
            S    1   1.00
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            P    4   1.00
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                  6.3036410000          -0.56379438345
                  1.4351579676           0.52360040577
                  0.68442749722          0.52445339821
            P    1   1.00
                  0.28347394974          1.0000000
            P    1   1.00
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            P    1   1.00
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            D    4   1.00
                  3.5808150000          -0.42773932262
                  3.1961650000           0.44501403992
                  1.0550226354           0.43689459722
                  0.41588406618          0.48220605798770D+00
            D    1   1.00
                  0.14653507868          1.0000000
            F    1   1.00
                  0.5506500              1.0000000
            ****
            -Ir     0
            S    2   1.00
                 15.293709000           -1.6731899791
                 13.573682000            2.3934378976
            S    1   1.00
                  5.8213436542           1.0000000
            S    1   1.00
                  1.1520364268           1.0000000
            S    1   1.00
                  0.51104895338          1.0000000
            S    1   1.00
                  0.14084043578          1.0000000
            S    1   1.00
                  0.49828673085D-01      1.0000000
            P    4   1.00
                  8.6697960000           0.21469187346391
                  6.2456140000          -0.44863071815131
                  1.5657036153           0.50653393256771
                  0.75577412863          0.54052273352337
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.3617430000           0.56835425804006
                  1.1177053710           0.44304381513032
                  0.44322534858          0.47078394930144
            D    1   1.00
                  0.15641305125          1.0000000
            F    1   1.00
                  0.6100800              1.0000000
            ****
            -Pt     0
            S    2   1.00
                 16.559563000           -0.53808800717
                 13.892440000            0.91402161377
            S    1   1.00
                  5.8531044732           1.0000000
            S    1   1.00
                  1.2498640609           1.0000000
            S    1   1.00
                  0.55606439459          1.0000000
            S    1   1.00
                  0.13793093812          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.2000000000          -0.95441807252
                  1.5588402917           0.57140490320
                  0.73230402180          0.49508234268
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.93629991261          0.46533857641
                  0.37160028160          0.41129165525
            D    1   1.00
                  0.13155928617          1.0000000
            F    1   1.00
                  0.6681300              1.0000000
            ****
            -Au     0
            S    2   1.00
                 20.115299000           -0.15910719389
                 12.193477000            0.79105526778
            S    1   1.00
                  6.0735294368           1.0000000
            S    1   1.00
                  1.3174451569           1.0000000
            S    1   1.00
                  0.58596768244          1.0000000
            S    1   1.00
                  0.13875427354          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.3353260000          -0.72681584494
                  1.6575296365           0.57315511417
                  0.78159310216          0.49579068859
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.5682570000           0.40197233762
                  1.2345757130           0.46001988624
                  0.48190232338          0.46152130957882D+00
            D    1   1.00
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            F    1   1.00
                  0.7248200              1.0000000
            ****
            -Hg     0
            S    2   1.00
                 26.842049000           -0.26845096483D-01
                 10.320909000            0.81771278143
            S    1   1.00
                  6.3656242291           1.0000000
            S    1   1.00
                  1.3898932095           1.0000000
            S    1   1.00
                  0.63706742699          1.0000000
            S    1   1.00
                  0.16047725098          1.0000000
            S    1   1.00
                  0.56410423453D-01      1.0000000
            P    4   1.00
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                  7.1690950000          -0.44026342153
                  1.7559567931           0.58406314464
                  0.83145670425          0.49359746203
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.4800000000           0.37748470203231
                  1.2535869926           0.48342275878173
                  0.50841366863          0.43493523158359
            D    1   1.00
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            F    1   1.00
                  0.7956900              1.0000000
            ****
            -Tl     0
            S    6   1.00
                 45.356924655            0.50938157397D-02
                 20.278843336           -0.14805704314
                 14.420612394            0.36768453564
                  6.2161909754          -0.66820394623
                  1.5002511178           0.96232806743
                  0.76330879305          0.33175999361
            S    2   1.00
                  7.8193195283          -0.18828631537D-01
                  1.3176904042           0.32093431467
            S    1   1.00
                  0.17643545481          1.0000000
            S    1   1.00
                  0.65296835238D-01      1.0000000
            S    1   1.00
                  0.24592841139D-01      1.0000000
            P    4   1.00
                  9.0323058024           0.22738839085
                  7.5356419671          -0.35117975889
                  1.0521421998           0.25690085604
                  0.50303932656          0.84549942764D-01
            P    1   1.00
                  2.0067660913           1.0000000
            P    1   1.00
                  0.16675605056          1.0000000
            P    1   1.00
                  0.48596401464D-01      1.0000000
            D    5   1.00
                  9.4421940760           0.58250776986D-01
                  7.4410003381          -0.11789199301
                  1.9831617772           0.34232057636
                  0.91671748567          0.47557282350
                  0.39647207885          0.30528029435
            D    1   1.00
                  0.15500000000          1.0000000
            D    1   1.00
                  0.39237960293D-01      1.0000000
            ****
            -Pb     0
            S    6   1.00
                 55.727520333            0.29681153058D-02
                 20.302912827           -0.14352634362
                 14.558628750            0.37554188507
                  6.5370530973          -0.67253099800
                  1.5933900686           0.95887533909
                  0.83051419711          0.32593632538
            S    2   1.00
                  8.0719473648          -0.20412061217D-01
                  1.4165737490           0.32865829049
            S    1   1.00
                  0.20418933370          1.0000000
            S    1   1.00
                  0.77159007761D-01      1.0000000
            S    1   1.00
                  0.33059793391D-01      1.0000000
            P    4   1.00
                  9.5531412199           0.20542943990
                  7.5327685129          -0.36407590058
                  1.1185539567           0.32217481686
                  0.53739855255          0.96677743015D-01
            P    1   1.00
                  2.1359869828           1.0000000
            P    1   1.00
                  0.20027494801          1.0000000
            P    1   1.00
                  0.63408011513D-01      1.0000000
            D    5   1.00
                 13.494505735            0.11571042371D-01
                  7.0609770411          -0.66746645076D-01
                  2.1581835375           0.33978760942
                  1.0148541418           0.48523039273
                  0.44632672920          0.29682924018
            D    1   1.00
                  0.17500000000          1.0000000
            D    1   1.00
                  0.50585085346D-01      1.0000000
            ****
            -Bi     0
            S    6   1.00
                175.19632102             0.80278879028D-03
                 19.820147783           -0.14624461250
                 14.960110102            0.37435719885
                  6.7065785571          -0.68476017748
                  1.7391967524           0.90967322081
                  0.94504730591          0.38695797807
            S    2   1.00
                  8.4636832909          -0.20037183144D-01
                  1.5317838545           0.31054408682
            S    1   1.00
                  0.23405391503          1.0000000
            S    1   1.00
                  0.90268814613D-01      1.0000000
            S    1   1.00
                  0.41577775054D-01      1.0000000
            P    4   1.00
                 10.672046293            0.14391258793
                  7.1992185915          -0.37994608603
                  1.5359697528           0.53268032065
                  0.72201275727          0.23037698678
            P    1   1.00
                  2.8508661858           1.0000000
            P    1   1.00
                  0.23769418731          1.0000000
            P    1   1.00
                  0.78768140453D-01      1.0000000
            D    5   1.00
                 15.834273510            0.85062993231D-02
                  7.0956896087          -0.65954380016D-01
                  2.3363137007           0.33707163406
                  1.1208861366           0.49128719933
                  0.50309487376          0.29095930644
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.62256480090D-01      1.0000000
            ****
            -Po     0
            S    6   1.00
                278.13783916             0.91690497839D-03
                 19.659291105           -0.14713009283
                 15.016229647            0.38790413631
                  7.1149978720          -0.67059966298
                  1.7879214122           0.91212928327
                  0.94021655206          0.29153755200
            S    2   1.00
                  8.7584161749          -0.21561417525D-01
                  1.6503945866           0.31638990001
            S    1   1.00
                  0.26329582133          1.0000000
            S    1   1.00
                  0.10190654304          1.0000000
            S    1   1.00
                  0.36854928339D-01      1.0000000
            P    4   1.00
                 10.445945973            0.23631841405
                  8.0293101888          -0.45017818996
                  1.3588798023           0.44160334658
                  0.66829182929          0.14575285544
            P    1   1.00
                  2.4460635387           1.0000000
            P    1   1.00
                  0.27242942777          1.0000000
            P    1   1.00
                  0.88796031338D-01      1.0000000
            P    1   1.00
                  0.24278917089D-01      1.0000000
            D    5   1.00
                 18.292670150            0.72030963652D-02
                  7.1695578539          -0.66160544754D-01
                  2.5029225180           0.34363449378
                  1.2115945443           0.50529101033
                  0.54713334240          0.28301155453
            D    1   1.00
                  0.21500000000          1.0000000
            D    1   1.00
                  0.60680939679D-01      1.0000000
            ****
            -At     0
            S    6   1.00
                303.23376176             0.63504969788D-03
                 20.289449240           -0.13823165350
                 15.383783126            0.38333193283
                  7.4702184232          -0.66837560338
                  1.8731608346           0.91545877992
                  0.97426847543          0.25559567998
            S    2   1.00
                  8.9610112498          -0.23092977605D-01
                  1.7804284294           0.31690635939
            S    1   1.00
                  0.29269461143          1.0000000
            S    1   1.00
                  0.11395353119          1.0000000
            S    1   1.00
                  0.42558321816D-01      1.0000000
            P    4   1.00
                 10.722023134            0.26194870008
                  8.4823338656          -0.46607228264
                  1.3474291294           0.42119853309
                  0.62824011467          0.10643224457
            P    1   1.00
                  2.4814896839           1.0000000
            P    1   1.00
                  0.31036518470          1.0000000
            P    1   1.00
                  0.10144862043          1.0000000
            P    1   1.00
                  0.26996558228D-01      1.0000000
            D    5   1.00
                 20.799819604            0.65227965381D-02
                  7.1664616770          -0.67780885217D-01
                  2.6934397048           0.33954991335
                  1.3175112423           0.50899559178
                  0.59997066293          0.27526771759
            D    1   1.00
                  0.23500000000          1.0000000
            D    1   1.00
                  0.67929272623D-01      1.0000000
            ****
            -Rn     0
            S    5   1.00
               5187.7442468              0.16097034848D-03
                768.14491207             0.10508214789D-02
                159.35182065             0.27375438093D-02
                 21.863432724           -0.55045904905
                 18.388689978            0.78321373922
            S    2   1.00
                 24.816226448           -0.82636797204D-01
                  7.2923301677           1.0926256000
            S    1   1.00
                  2.0850437166           1.0000000
            S    1   1.00
                  1.0915245945           1.0000000
            S    1   1.00
                  0.34915708428          1.0000000
            S    1   1.00
                  0.13648422952          1.0000000
            S    1   1.00
                  0.46837581728D-01      1.0000000
            P    4   1.00
                  9.0845000304          -0.23093917426
                  6.2631489717           0.39747614192
                  2.2545193734           0.83026693838
                  1.1180666918           0.51467013112
            P    3   1.00
                194.68918723             0.26265814046D-03
                 11.210013525            0.19952302621
                  7.5298316489          -0.45994479561
            P    1   1.00
                  0.47444492594          1.0000000
            P    1   1.00
                  0.20172354616          1.0000000
            P    1   1.00
                  0.79503144392D-01      1.0000000
            P    1   1.00
                  0.22264519316D-01      1.0000000
            D    6   1.00
                 75.302723665            0.73590238429D-03
                 17.965913830            0.89490827389D-02
                  7.3741298033          -0.76641663693D-01
                  3.2296258578           0.22975404602
                  1.7937840508           0.43991495311
                  0.94633319732          0.35259395198
            D    1   1.00
                  0.46860482223          1.0000000
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.68815941916D-01      1.0000000
            F    1   1.00
                  2.1000000              1.0000000
            F    1   1.00
                  0.4180600              1.0000000
            ****
            
            -RB     0
            RB-ECP     3     28
            f potential
              1
            2      3.8431140            -12.3169000
            s-f potential
              3
            2      5.0365510             89.5001980
            2      1.9708490              0.4937610
            2      3.8431140             12.3169000
            p-f potential
              3
            2      4.2583410             58.5689740
            2      1.4707090              0.4317910
            2      3.8431140             12.3169000
            d-f potential
              3
            2      3.0231270             26.2248980
            2      0.6503830              0.9628390
            2      3.8431140             12.3169000
            -SR     0
            SR-ECP     3     28
            f potential
              1
            2      4.6339750            -15.8059920
            s-f potential
              3
            2      7.4000740            135.4794300
            2      3.6063790             17.5344630
            2      4.6339750             15.8059920
            p-f potential
              3
            2      6.4848680             88.3597090
            2      3.2880530             15.3943720
            2      4.6339750             15.8059920
            d-f potential
              3
            2      4.6228410             29.8889870
            2      2.2469040              6.6594140
            2      4.6339750             15.8059920
            -Y     0
            Y-ECP     3     28
            f potential
              2
            2      6.5842120            -19.12219811
            2      3.2921060             -2.43637543
            s-f potential
              4
            2      7.4880494            135.15384412
            2      3.7440247             15.55244130
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            p-f potential
              4
            2      6.4453772             87.78499167
            2      3.2226886             11.56406599
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            d-f potential
              4
            2      4.6584472             29.70100072
            2      2.3292236              5.53996847
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            -ZR     0
            ZR-ECP     3     28
            f potential
              2
            2      7.5400000            -21.09377605
            2      3.7700000             -3.08069427
            s-f potential
              4
            2      8.2000000            150.26759106
            2      4.0897278             18.97621650
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            p-f potential
              4
            2      7.1100000             99.62212372
            2      3.5967980             14.16873329
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            d-f potential
              4
            2      5.3500000             35.04512355
            2      2.4918215              6.11125948
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            -NB     0
            NB-ECP     3     28
            f potential
              2
            2      8.4900000            -22.92954996
            2      4.2500000             -3.66630986
            s-f potential
              4
            2      8.9000000            165.17914349
            2      4.4300000             21.99297437
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            p-f potential
              4
            2      7.7700000            111.79441445
            2      3.9600000             16.63348326
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            d-f potential
              4
            2      6.0500000             38.11224880
            2      2.8400000              8.03916727
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            -MO     0
            MO-ECP     3     28
            f potential
              2
            2      9.4500000            -24.80517707
            2      4.7200000             -4.15378155
            s-f potential
              4
            2      9.7145938            180.10310850
            2      4.6805004             24.99722791
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            p-f potential
              4
            2      8.1421366            123.77275231
            2      4.6259863             19.53022800
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            d-f potential
              4
            2      6.6184148             48.37502229
            2      3.2487516              8.89205274
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            -TC     0
            TC-ECP     3     28
            f potential
              2
            2     10.4000000            -26.56244747
            2      5.2000000             -4.58568054
            s-f potential
              4
            2     10.4223462            195.15916591
            2      5.0365160             28.09260333
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            p-f potential
              4
            2      8.9504494            135.28456622
            2      4.8544394             21.80650430
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            d-f potential
              4
            2      6.9456968             54.32972942
            2      3.9705849             11.15506795
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            -RU     0
            RU-ECP     3     28
            f potential
              2
            2     11.3600000            -28.34061627
            2      5.6800000             -4.94462923
            s-f potential
              4
            2     11.1052693            209.82297122
            2      5.4147454             30.65472642
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            p-f potential
              4
            2      9.7712707            146.33618228
            2      5.0739908             24.12787723
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            d-f potential
              4
            2      7.6714231             67.51589667
            2      4.1365647              9.87010415
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            -RH     0
            RH-ECP     3     28
            f potential
              2
            2     12.3100000            -30.09345572
            2      6.1600000             -5.21848192
            s-f potential
              4
            2     11.7200000            225.34775353
            2      5.8200000             32.82318898
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            p-f potential
              4
            2     10.4200000            158.70941159
            2      5.4500000             26.44410049
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            d-f potential
              4
            2      8.8200000             62.75862572
            2      3.8700000             10.97871947
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            -PD     0
            PD-ECP     3     28
            f potential
              2
            2     13.2700000            -31.92955431
            2      6.6300000             -5.39821694
            s-f potential
              4
            2     12.4300000            240.22904033
            2      6.1707594             35.17194347
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            p-f potential
              4
            2     11.0800000            170.41727605
            2      5.8295541             28.47213287
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            d-f potential
              4
            2      9.5100000             69.01384488
            2      4.1397811             11.75086158
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            -AG     0
            AG-ECP     3     28
            f potential
              2
            2     14.2200000            -33.68992012
            2      7.1100000             -5.53112021
            s-f potential
              4
            2     13.1300000            255.13936452
            2      6.5100000             36.86612154
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            p-f potential
              4
            2     11.7400000            182.18186871
            2      6.2000000             30.35775148
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            d-f potential
              4
            2     10.2100000             73.71926087
            2      4.3800000             12.50211712
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            -CD     0
            CD-ECP     3     28
            f potential
              2
            2     15.1847957            -35.47662555
            2      7.5923978             -5.61767685
            s-f potential
              4
            2     13.8358689            270.00948324
            2      6.8572704             38.76730798
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            p-f potential
              4
            2     12.4049710            193.82962939
            2      6.5677995             31.89652523
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            d-f potential
              4
            2     10.8969253             79.19364700
            2      4.6411649             13.23082674
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            -IN     0
            IN-ECP     3     28
            f potential
              2
            2     12.53905600           -13.72807800
            2     12.55256100           -18.20686600
            s-f potential
              4
            2     15.39282200           281.12235000
            2      8.05586400            61.90147000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            p-f potential
              6
            2     13.92867200            67.46215400
            2     13.34723400           134.94925000
            2      7.61413200            14.74614000
            2      7.31836500            29.63926200
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            d-f potential
              6
            2     14.03471500            35.49325400
            2     14.51161600            53.17877300
            2      5.55055000             9.17728100
            2      5.05941500            12.39241000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            -SN     0
            SN-ECP     3     28
            f potential
              2
            2     12.28234800           -12.57633300
            2     12.27215000           -16.59594400
            s-f potential
              4
            2     17.42041400           279.98868200
            2      7.63115500            62.37781000
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            p-f potential
              6
            2     16.13102400            66.16252300
            2     15.62807700           132.17439600
            2      7.32560800            16.33941700
            2      6.94251900            32.48895900
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            d-f potential
              6
            2     15.51497600            36.38744100
            2     15.18816000            54.50784100
            2      5.45602400             8.69682300
            2      5.36310500            12.84020800
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            -SB     0
            SB-ECP     3     28
            f potential
              2
            2     14.44497800           -15.36680100
            2     14.44929500           -20.29613800
            s-f potential
              4
            2     16.33086500           281.07158100
            2      8.55654200            61.71660400
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            p-f potential
              6
            2     14.47033700            67.45738000
            2     13.81619400           134.93350300
            2      8.42492400            14.71634400
            2      8.09272800            29.51851200
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            d-f potential
              6
            2     14.88633100            35.44781500
            2     15.14631900            53.14346600
            2      5.90826700             9.17922300
            2      5.59432200            13.24025300
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            -TE     0
            TE-ECP     3     28
            f potential
              2
            2     15.20616800           -15.74545000
            2     15.20170200           -20.74244800
            s-f potential
              4
            2     16.81447300           281.04584300
            2      8.79352600            61.62065600
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            p-f potential
              6
            2     14.87780100            67.44946400
            2     14.26973100           134.90430400
            2      8.72443500            14.68954700
            2      8.29151500            29.41506300
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            d-f potential
              6
            2     15.20500800            35.43205700
            2     15.22584800            53.13568700
            2      6.07176900             9.06980200
            2      5.80476000            13.12230400
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            -I     0
            I-ECP     3     28
            f potential
              4
            2     19.45860900           -21.84204000
            2     19.34926000           -28.46819100
            2      4.82376700            -0.24371300
            2      4.88431500            -0.32080400
            s-f potential
              7
            2     40.01583500            49.99429300
            2     17.42974700           281.02531700
            2      9.00548400            61.57332600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            p-f potential
              8
            2     15.35546600            67.44284100
            2     14.97183300           134.88113700
            2      8.96016400            14.67505100
            2      8.25909600            29.37566600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            d-f potential
              10
            2     15.06890800            35.43952900
            2     14.55532200            53.17605700
            2      6.71864700             9.06719500
            2      6.45639300            13.20693700
            2      1.19177900             0.08933500
            2      1.29115700             0.05238000
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            -XE     0
            XE-ECP     3     28
            f potential
              4
            2     20.88155700           -23.08929500
            2     20.78344300           -30.07447500
            2      5.25338900            -0.28822700
            2      5.36118800            -0.38692400
            s-f potential
              7
            2     40.00518400            49.99796200
            2     17.81221400           281.01330300
            2      9.30415000            61.53825500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            p-f potential
              8
            2     15.70177200            67.43914200
            2     15.25860800           134.87471100
            2      9.29218400            14.66330000
            2      8.55900300            29.35473000
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            d-f potential
              10
            2     15.18560000            35.43690800
            2     14.28450000            53.19577200
            2      7.12188900             9.04623200
            2      6.99196300            13.22368100
            2      0.62394600             0.08485300
            2      0.64728400             0.04415500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            -CS     0
            CS-ECP     3     46
            f potential
              1
            2      3.1232690            -28.8843090
            s-f potential
              3
            2      4.0797500             84.5477300
            2      2.4174060             16.6541730
            2      3.1232690             28.8843090
            p-f potential
              3
            2      5.5140800            157.0490590
            2      2.1603160             26.4233070
            2      3.1232690             28.8843090
            d-f potential
              3
            2      1.8074100             13.1727530
            2      0.8581820              3.3428330
            2      3.1232690             28.8843090
            -BA     0
            BA-ECP     3     46
            f potential
              1
            2      3.5894650            -33.4731740
            s-f potential
              3
            2      9.5269860            427.8458160
            2      4.4875100            204.4175300
            2      3.5894650             33.4731740
            p-f potential
              3
            2      8.3159300            293.6058640
            2      4.2922170            294.1933160
            2      3.5894650             33.4731740
            d-f potential
              3
            2      5.9161080            112.5504020
            2      2.8748420            181.7826210
            2      3.5894650             33.4731740
            -LA     0
            LA-ECP     3     46
            f potential
              1
            2      4.0286000            -36.0100160
            s-f potential
              3
            2      3.3099000             91.9321770
            2      1.6550000             -3.7887640
            2      4.0286000             36.0100160
            p-f potential
              3
            2      2.8368000             63.7594860
            2      1.4184000             -0.6479580
            2      4.0286000             36.0100160
            d-f potential
              3
            2      2.0213000             36.1161730
            2      1.0107000              0.2191140
            2      4.0286000             36.0100160
            -HF     0
            HF-ECP     3     60
            f potential
              1
            2      1.78576984            10.04672251
            s-f potential
              3
            2     14.76995900          1499.28471073
            2      7.38497940            40.28210136
            2      1.78576984           -10.04672251
            p-f potential
              3
            2      9.84948950           397.73300533
            2      4.92474450            19.31640586
            2      1.78576984           -10.04672251
            d-f potential
              3
            2      6.09675640           101.32980526
            2      3.04837820             5.87343821
            2      1.78576984           -10.04672251
            -TA     0
            TA-ECP     3     60
            f potential
              1
            2      2.01788111            12.01796094
            s-f potential
              3
            2     14.54640770          1345.88064703
            2      7.27320380            36.76680620
            2      2.01788111           -12.01796094
            p-f potential
              3
            2      9.93556529           378.42530145
            2      4.96778243            22.29309086
            2      2.01788111           -12.01796094
            d-f potential
              3
            2      6.34737691           104.88395571
            2      3.17368846             8.75584805
            2      2.01788111           -12.01796094
            -W     0
            W-ECP     3     60
            f potential
              1
            2      2.25888846            14.15257947
            s-f potential
              3
            2     14.32285640          1192.39588226
            2      7.16142810            32.52293315
            2      2.25888846           -14.15257947
            p-f potential
              3
            2     10.02164110           359.03196711
            2      5.01082040            24.03038019
            2      2.25888846           -14.15257947
            d-f potential
              3
            2      6.59799743           108.30134897
            2      3.29899871            10.98252827
            2      2.25888846           -14.15257947
            -RE     0
            RE-ECP     3     60
            f potential
              1
            2      2.50865059            16.44985227
            s-f potential
              3
            2     14.09930510          1038.95157226
            2      7.04965250            29.56173830
            2      2.50865059           -16.44985227
            p-f potential
              3
            2     10.10771690           339.54350965
            2      5.05385830            24.91369646
            2      2.50865059           -16.44985227
            d-f potential
              3
            2      6.84861794           111.69965275
            2      3.42430897            12.62432927
            2      2.50865059           -16.44985227
            -OS     0
            OS-ECP     3     60
            f potential
              1
            2      2.76707510            18.90945701
            s-f potential
              3
            2     13.87575390           885.40571914
            2      6.93787690            25.96704014
            2      2.76707510           -18.90945701
            p-f potential
              3
            2     10.19379260           320.08390185
            2      5.09689620            26.14876493
            2      2.76707510           -18.90945701
            d-f potential
              3
            2      7.09923846           115.04484313
            2      3.54961923            13.62257457
            2      2.76707510           -18.90945701
            -IR     0
            IR-ECP     3     60
            f potential
              1
            2      3.03407192            21.53103107
            s-f potential
              3
            2     13.65220260           732.26919978
            2      6.82610130            26.48472087
            2      3.03407192           -21.53103107
            p-f potential
              3
            2     10.27986840           299.48947357
            2      5.13993410            26.46623354
            2      3.03407192           -21.53103107
            d-f potential
              3
            2      7.34985897           124.45759451
            2      3.67492949            14.03599518
            2      3.03407192           -21.53103107
            -PT     0
            PT-ECP     3     60
            f potential
              1
            2      3.30956857            24.31437573
            s-f potential
              3
            2     13.42865130           579.22386092
            2      6.71432560            29.66949062
            2      3.30956857           -24.31437573
            p-f potential
              3
            2     10.36594420           280.86077422
            2      5.18297210            26.74538204
            2      3.30956857           -24.31437573
            d-f potential
              3
            2      7.60047949           120.39644429
            2      3.80023974            15.81092058
            2      3.30956857           -24.31437573
            -AU     0
            AU-ECP     3     60
            f potential
              2
            2      4.78982000            30.49008890
            2      2.39491000             5.17107381
            s-f potential
              4
            2     13.20510000           426.84667920
            2      6.60255000            37.00708285
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            p-f potential
              4
            2     10.45202000           261.19958038
            2      5.22601000            26.96249604
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            d-f potential
              4
            2      7.85110000           124.79066561
            2      3.92555000            16.30072573
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            -HG     0
            HG-ECP     3     60
            f potential
              1
            2      3.88579112            30.36499643
            s-f potential
              3
            2     12.98154870           275.73721174
            2      6.49077440            49.08921249
            2      3.88579112           -30.36499643
            p-f potential
              3
            2     10.53809580           241.54007398
            2      5.26904790            27.39659081
            2      3.88579112           -30.36499643
            d-f potential
              3
            2      8.10172051           127.86700761
            2      4.05086026            16.60831151
            2      3.88579112           -30.36499643
            -TL     0
            TL-ECP     3     60
            f potential
              4
            2      5.62639900            15.82548800
            2      5.54895200            21.10402100
            2      2.87494600             2.91512700
            2      2.82145100             3.89690300
            s-f potential
              6
            2     12.16780500           281.28466300
            2      8.29490900            62.43425100
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            p-f potential
              8
            2      7.15149200             4.63340800
            2      5.17286500             9.34175600
            2      9.89107200            72.29925300
            2      9.00339100           144.55803700
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            d-f potential
              8
            2      7.13021800            35.94303900
            2      6.92690600            53.90959300
            2      5.41757000            10.38193900
            2      5.13868100            15.58382200
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            -PB     0
            PB-ECP     3     60
            f potential
              2
            2      3.88751200            12.20989200
            2      3.81196300            16.19029100
            s-f potential
              4
            2     12.29630300           281.28549900
            2      8.63263400            62.52021700
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            p-f potential
              6
            2     10.24179000            72.27689700
            2      8.92417600           144.59108300
            2      6.58134200             4.75869300
            2      6.25540300             9.94062100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            d-f potential
              6
            2      7.75433600            35.84850700
            2      7.72028100            53.72434200
            2      4.97026400            10.11525600
            2      4.56378900            14.83373100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            -BI     0
            BI-ECP     3     60
            f potential
              2
            2      4.21454600            13.71338300
            2      4.13340000            18.19430800
            s-f potential
              4
            2     13.04309000           283.26422700
            2      8.22168200            62.47195900
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            p-f potential
              6
            2     10.46777700            72.00149900
            2      9.11890100           144.00227700
            2      6.75479100             5.00794500
            2      6.25259200             9.99155000
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            d-f potential
              6
            2      8.08147400            36.39625900
            2      7.89059500            54.59766400
            2      4.95555600             9.98429400
            2      4.70455900            14.98148500
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            -PO     0
            PO-ECP     3     60
            f potential
              4
            2      5.01327000            17.42829500
            2      4.98464000            23.38035300
            2      1.32676000             0.16339200
            2      1.52875800             0.32456600
            s-f potential
              6
            2     13.27722700           283.24470600
            2      8.39951800            62.39646100
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            p-f potential
              8
            2     10.66568200            71.99171600
            2      9.28375300           143.97187100
            2      6.87274900             4.94961500
            2      6.32615000             9.74049900
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            d-f potential
              8
            2      8.21486600            36.37838300
            2      8.00869600            54.56271500
            2      5.05522700             9.88949900
            2      4.78255300            14.69387700
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            -AT     0
            AT-ECP     3     60
            f potential
              4
            2      5.81216300            19.87019800
            2      5.75371500            26.41645200
            2      2.51347200             0.99497000
            2      2.53626100             1.49070100
            s-f potential
              7
            2     30.20083200            49.95715800
            2     13.61230600           283.21037100
            2      8.52934000            62.28105200
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            p-f potential
              8
            2     10.85406500            71.98237100
            2      9.46822900           143.90353200
            2      7.03111400             4.87175900
            2      6.14385800             8.98305900
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            d-f potential
              8
            2      8.31351500            36.36323700
            2      7.99896500            54.54897000
            2      5.17996600             9.77628500
            2      4.94222600            14.26475500
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            -RN     0
            RN-ECP     3     60
            f potential
              4
            2      6.34857100            21.79729000
            2      6.29594900            28.94680500
            2      2.88211800             1.44736500
            2      2.90804800             2.17796400
            s-f potential
              7
            2     30.15124200            49.96555100
            2     14.52124100           283.07000000
            2      8.05203800            62.00287000
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            p-f potential
              8
            2     11.00994200            71.96911900
            2      9.61762500           143.86055900
            2      7.33600800             4.71476100
            2      6.40625300             9.01306500
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            d-f potential
              8
            2      8.36922000            36.36836500
            2      8.11697500            54.55176100
            2      5.35365600             9.63448700
            2      5.09721200            14.38790200
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/additions/08_d-glucose/Gau-18824.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/additions/08_d-glucose/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     18851.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                27-Sep-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=48GB
 %chk=08_d-glucose_conformer021_B3LYPDBJ-def2SVPDr
 ----------------------------------------------------------------------
 #P B3LYP/Gen EmpiricalDispersion=GD3BJ Integral=UltraFineGrid SCF=(NoS
 ymm,MaxCyc=120) Polar=ROA Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-5,75=-5,116=-2,124=41/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Mon Sep 27 11:12:43 2021, MaxMem=  6442450944 cpu:               0.8 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "08_d-glucose_conformer021_B3LYPDBJ-def2SVPDr.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                -0.802701000000      1.185868000000     -0.155223000000
  C                                                -1.539114000000     -0.058168000000      0.301617000000
  C                                                 0.694862000000      1.030292000000      0.045515000000
  C                                                 1.190748000000     -0.254953000000     -0.615577000000
  O                                                 0.429294000000     -1.375454000000     -0.150440000000
  C                                                -0.958807000000     -1.274656000000     -0.405424000000
  O                                                -1.212443000000      2.340377000000      0.564498000000
  H                                                -0.996847000000      1.328656000000     -1.227279000000
  O                                                -2.912981000000      0.125709000000     -0.006195000000
  H                                                -1.394142000000     -0.197407000000      1.379285000000
  H                                                 0.904711000000      0.974487000000      1.119148000000
  O                                                 1.399422000000      2.110875000000     -0.544610000000
  C                                                 2.641121000000     -0.568017000000     -0.289807000000
  H                                                 1.084130000000     -0.152517000000     -1.704362000000
  O                                                -1.593558000000     -2.403373000000      0.110234000000
  H                                                -1.121572000000     -1.189787000000     -1.491375000000
  H                                                -2.171127000000      2.411548000000      0.483789000000
  H                                                -3.392257000000     -0.655851000000      0.292660000000
  H                                                 1.018230000000      2.925417000000     -0.195277000000
  O                                                 2.840914000000     -0.797107000000      1.093949000000
  H                                                 3.260544000000      0.283592000000     -0.566380000000
  H                                                 2.952873000000     -1.437215000000     -0.881027000000
  H                                                -1.324223000000     -3.177621000000     -0.397061000000
  H                                                 2.217854000000     -1.483716000000      1.361779000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1
 NAtoms=     24 NQM=       24 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          16          12          16           1          16           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  15.9949146  12.0000000  15.9949146   1.0078250  15.9949146   1.0078250
 NucSpn=           0           0           0           0           0           0           0           1           0           1
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   5.6000000   3.6000000   5.6000000   1.0000000   5.6000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   0.0000000   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   8.0000000   6.0000000   8.0000000   1.0000000   8.0000000   1.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=           1          16          12           1          16           1           1           1           1          16
 AtmWgt=   1.0078250  15.9949146  12.0000000   1.0078250  15.9949146   1.0078250   1.0078250   1.0078250   1.0078250  15.9949146
 NucSpn=           1           0           0           1           0           1           1           1           1           0
 AtZEff=   1.0000000   5.6000000   3.6000000   1.0000000   5.6000000   1.0000000   1.0000000   1.0000000   1.0000000   5.6000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   0.0000000   0.0000000   2.7928460   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   0.0000000
 AtZNuc=   1.0000000   8.0000000   6.0000000   1.0000000   8.0000000   1.0000000   1.0000000   1.0000000   1.0000000   8.0000000

  Atom        21          22          23          24
 IAtWgt=           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.088559
 Leave Link  101 at Mon Sep 27 11:12:43 2021, MaxMem=  6442450944 cpu:               1.2 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -0.802701    1.185868   -0.155223
      2          6           0       -1.539114   -0.058168    0.301617
      3          6           0        0.694862    1.030292    0.045515
      4          6           0        1.190748   -0.254953   -0.615577
      5          8           0        0.429294   -1.375454   -0.150440
      6          6           0       -0.958807   -1.274656   -0.405424
      7          8           0       -1.212443    2.340377    0.564498
      8          1           0       -0.996847    1.328656   -1.227279
      9          8           0       -2.912981    0.125709   -0.006195
     10          1           0       -1.394142   -0.197407    1.379285
     11          1           0        0.904711    0.974487    1.119148
     12          8           0        1.399422    2.110875   -0.544610
     13          6           0        2.641121   -0.568017   -0.289807
     14          1           0        1.084130   -0.152517   -1.704362
     15          8           0       -1.593558   -2.403373    0.110234
     16          1           0       -1.121572   -1.189787   -1.491375
     17          1           0       -2.171127    2.411548    0.483789
     18          1           0       -3.392257   -0.655851    0.292660
     19          1           0        1.018230    2.925417   -0.195277
     20          8           0        2.840914   -0.797107    1.093949
     21          1           0        3.260544    0.283592   -0.566380
     22          1           0        2.952873   -1.437215   -0.881027
     23          1           0       -1.324223   -3.177621   -0.397061
     24          1           0        2.217854   -1.483716    1.361779
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.516124   0.000000
     3  C    1.518945   2.498196   0.000000
     4  C    2.502345   2.886540   1.528005   0.000000
     5  O    2.842218   2.411271   2.428279   1.432371   0.000000
     6  C    2.478134   1.522007   2.872412   2.388419   1.414921
     7  O    1.420837   2.434921   2.371387   3.728759   4.124783
     8  H    1.098811   2.134211   2.137967   2.769038   3.241245
     9  O    2.366311   1.419884   3.719876   4.166154   3.666756
    10  H    2.148946   1.096254   2.765886   3.265646   2.655706
    11  H    2.141018   2.776151   1.095371   2.145370   2.712950
    12  O    2.420043   3.749112   1.418560   2.376073   3.640193
    13  C    3.867058   4.252540   2.540661   1.519117   2.358719
    14  H    2.784104   3.303674   2.147705   1.098778   2.083041
    15  O    3.684912   2.353631   4.126877   3.590943   2.283966
    16  H    2.744215   2.160954   3.254261   2.643437   2.058583
    17  H    1.945049   2.555802   3.211518   4.429564   4.637437
    18  H    3.209101   1.947163   4.428171   4.689301   3.913875
    19  H    2.518616   3.960895   1.937536   3.212657   4.341238
    20  O    4.332269   4.512036   3.007348   2.437100   2.774689
    21  H    4.182477   4.889472   2.741295   2.139277   3.307781
    22  H    4.638070   4.845448   3.470689   2.138526   2.627931
    23  H    4.401194   3.203953   4.688188   3.861971   2.526549
    24  H    4.307171   4.155832   3.220604   2.544551   2.344669
                    6          7          8          9         10
     6  C    0.000000
     7  O    3.751472   0.000000
     8  H    2.730225   2.068943   0.000000
     9  O    2.437048   2.849960   2.570933   0.000000
    10  H    2.129593   2.671561   3.046455   2.081065   0.000000
    11  H    3.294793   2.579851   3.040901   4.069594   2.593402
    12  O    4.128249   2.846863   2.611515   4.777823   4.102869
    13  C    3.670448   4.902912   4.208448   5.604439   4.382530
    14  H    2.668338   4.078786   2.598451   4.351790   3.956353
    15  O    1.393849   4.780666   4.009120   2.854941   2.552752
    16  H    1.101356   4.086188   2.535322   2.673095   3.049558
    17  H    3.981020   0.964704   2.340800   2.452650   2.865705
    18  H    2.606131   3.715221   3.462148   0.964290   2.320213
    19  H    4.646875   2.428051   2.770417   4.829962   4.248625
    20  O    4.112670   5.153041   4.963404   5.930364   4.286812
    21  H    4.500774   5.051422   4.433320   6.200899   5.067847
    22  H    3.943839   5.805997   4.834276   6.133213   5.053976
    23  H    1.937750   5.602267   4.593797   3.686315   3.470154
    24  H    3.641138   5.198681   4.994693   5.548610   3.834242
                   11         12         13         14         15
    11  H    0.000000
    12  O    2.074658   0.000000
    13  C    2.716541   2.963647   0.000000
    14  H    3.045413   2.562689   2.144254   0.000000
    15  O    4.320786   5.455748   4.632609   3.940701   0.000000
    16  H    3.950283   4.259829   3.998528   2.446715   2.064149
    17  H    3.453926   3.727845   5.712617   4.686057   4.863804
    18  H    4.669584   5.596068   6.062065   4.927421   2.514444
    19  H    2.355149   0.964790   3.853154   3.428609   5.942287
    20  O    2.624512   3.635813   1.416750   3.366353   4.817917
    21  H    2.977967   2.608297   1.088768   2.494388   5.589266
    22  H    3.743257   3.887844   1.096465   2.412577   4.752483
    23  H    4.950458   5.950479   4.748209   4.081722   0.964028
    24  H    2.797495   4.150329   1.935303   3.529680   4.115701
                   16         17         18         19         20
    16  H    0.000000
    17  H    4.239393   0.000000
    18  H    2.936644   3.307057   0.000000
    19  H    4.815966   3.301089   5.702277   0.000000
    20  O    4.747567   5.982334   6.286051   4.340676   0.000000
    21  H    4.714807   5.927403   6.773497   3.484958   2.025017
    22  H    4.127329   6.552181   6.499904   4.821375   2.079135
    23  H    2.278174   5.721185   3.333437   6.540250   5.023776
    24  H    4.402119   5.933557   5.770764   4.827419   0.965074
                   21         22         23         24
    21  H    0.000000
    22  H    1.776187   0.000000
    23  H    5.747065   4.642929   0.000000
    24  H    2.815737   2.360634   4.302225   0.000000
 Stoichiometry    C6H12O6
 Framework group  C1[X(C6H12O6)]
 Deg. of freedom    66
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 5.89D-17
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -0.802701    1.185868   -0.155223
      2          6           0       -1.539114   -0.058168    0.301617
      3          6           0        0.694862    1.030292    0.045515
      4          6           0        1.190748   -0.254953   -0.615577
      5          8           0        0.429294   -1.375454   -0.150440
      6          6           0       -0.958807   -1.274656   -0.405424
      7          8           0       -1.212443    2.340377    0.564498
      8          1           0       -0.996847    1.328656   -1.227279
      9          8           0       -2.912981    0.125709   -0.006195
     10          1           0       -1.394142   -0.197407    1.379285
     11          1           0        0.904711    0.974487    1.119148
     12          8           0        1.399422    2.110875   -0.544610
     13          6           0        2.641121   -0.568017   -0.289807
     14          1           0        1.084130   -0.152517   -1.704362
     15          8           0       -1.593558   -2.403373    0.110234
     16          1           0       -1.121572   -1.189787   -1.491375
     17          1           0       -2.171127    2.411548    0.483789
     18          1           0       -3.392257   -0.655851    0.292660
     19          1           0        1.018230    2.925417   -0.195277
     20          8           0        2.840914   -0.797107    1.093949
     21          1           0        3.260544    0.283592   -0.566380
     22          1           0        2.952873   -1.437215   -0.881027
     23          1           0       -1.324223   -3.177621   -0.397061
     24          1           0        2.217854   -1.483716    1.361779
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           1.1719254           0.8169867           0.5340835
 Leave Link  202 at Mon Sep 27 11:12:44 2021, MaxMem=  6442450944 cpu:               0.1 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       8     10     11     14     16     17     18     19     21     22
 Centers:      23     24
 S 3 1.00
     Exponent=  1.3010701000D+01 Coefficients=  1.9682158000D-02
     Exponent=  1.9622572000D+00 Coefficients=  1.3796524000D-01
     Exponent=  4.4453796000D-01 Coefficients=  4.7831935000D-01
 S 1 1.00
     Exponent=  1.2194962000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.1704099050D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      6     13
 S 5 1.00
     Exponent=  1.2384016938D+03 Coefficients=  5.4568832082D-03
     Exponent=  1.8629004992D+02 Coefficients=  4.0638409211D-02
     Exponent=  4.2251176346D+01 Coefficients=  1.8025593888D-01
     Exponent=  1.1676557932D+01 Coefficients=  4.6315121755D-01
     Exponent=  3.5930506482D+00 Coefficients=  4.4087173314D-01
 S 1 1.00
     Exponent=  4.0245147363D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.3090182668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.7053540256D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  9.4680970621D+00 Coefficients=  3.8387871728D-02
     Exponent=  2.0103545142D+00 Coefficients=  2.1117025112D-01
     Exponent=  5.4771004707D-01 Coefficients=  5.1328172114D-01
 P 1 1.00
     Exponent=  1.5268613795D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1713185140D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       5      7      9     12     15     20
 S 5 1.00
     Exponent=  2.2661767785D+03 Coefficients= -5.3431809926D-03
     Exponent=  3.4087010191D+02 Coefficients= -3.9890039230D-02
     Exponent=  7.7363135167D+01 Coefficients= -1.7853911985D-01
     Exponent=  2.1479644940D+01 Coefficients= -4.6427684959D-01
     Exponent=  6.6589433124D+00 Coefficients= -4.4309745172D-01
 S 1 1.00
     Exponent=  8.0975975668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.5530772234D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.6572453250D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  1.7721504317D+01 Coefficients=  4.3394573193D-02
     Exponent=  3.8635505440D+00 Coefficients=  2.3094120765D-01
     Exponent=  1.0480920883D+00 Coefficients=  5.1375311064D-01
 P 1 1.00
     Exponent=  2.7641544411D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.9002276350D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.2000000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.7992024323D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 There are   378 symmetry adapted cartesian basis functions of A   symmetry.
 There are   354 symmetry adapted basis functions of A   symmetry.
   354 basis functions,   522 primitive gaussians,   378 cartesian basis functions
    48 alpha electrons       48 beta electrons
       nuclear repulsion energy       832.2526422312 Hartrees.
 IExCor=  402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX=  0.200000
 ScaDFX=  0.800000  0.720000  1.000000  0.810000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=141
 NAtoms=   24 NActive=   24 NUniq=   24 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D3(BJ) Dispersion energy=       -0.0394411670 Hartrees.
 Nuclear repulsion after empirical dispersion term =      832.2132010642 Hartrees.
 Leave Link  301 at Mon Sep 27 11:12:45 2021, MaxMem=  6442450944 cpu:               5.7 elap:               0.8
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   354 RedAO= T EigKep=  2.45D-05  NBF=   354
 NBsUse=   354 1.00D-06 EigRej= -1.00D+00 NBFU=   354
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   377   377   377   377   377 MxSgAt=    24 MxSgA2=    24.
 Leave Link  302 at Mon Sep 27 11:12:45 2021, MaxMem=  6442450944 cpu:               3.7 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Mon Sep 27 11:12:46 2021, MaxMem=  6442450944 cpu:               0.6 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "08_d-glucose_conformer021_B3LYPDBJ-def2SVPDr.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000   -0.000000   -0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Mon Sep 27 11:12:47 2021, MaxMem=  6442450944 cpu:               3.9 elap:               0.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  6442450944 LenX=  6442158464 LenY=  6442015139
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf= 970000000 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=         0 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -686.763333896735    
 DIIS: error= 2.39D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -686.763333896735     IErMin= 1 ErrMin= 2.39D-03
 ErrMax= 2.39D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.68D-02 BMatP= 1.68D-02
 IDIUse=3 WtCom= 9.76D-01 WtEn= 2.39D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.287 Goal=   None    Shift=    0.000
 GapD=    0.287 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=6.43D-03 MaxDP=3.18D-01              OVMax= 1.75D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  6.40D-03    CP:  1.03D+00
 E= -686.778805619860     Delta-E=       -0.015471723125 Rises=F Damp=F
 DIIS: error= 7.79D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -686.778805619860     IErMin= 2 ErrMin= 7.79D-04
 ErrMax= 7.79D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.31D-03 BMatP= 1.68D-02
 IDIUse=3 WtCom= 9.92D-01 WtEn= 7.79D-03
 Coeff-Com:  0.962D-01 0.904D+00
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:      0.955D-01 0.905D+00
 Gap=     0.280 Goal=   None    Shift=    0.000
 RMSDP=3.40D-04 MaxDP=1.39D-02 DE=-1.55D-02 OVMax= 8.07D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  2.84D-04    CP:  1.04D+00  1.03D+00
 E= -686.778393506061     Delta-E=        0.000412113798 Rises=F Damp=F
 DIIS: error= 9.52D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -686.778805619860     IErMin= 2 ErrMin= 7.79D-04
 ErrMax= 9.52D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.99D-03 BMatP= 1.31D-03
 IDIUse=3 WtCom= 2.45D-01 WtEn= 7.55D-01
 Coeff-Com: -0.191D-01 0.558D+00 0.461D+00
 Coeff-En:   0.000D+00 0.574D+00 0.426D+00
 Coeff:     -0.467D-02 0.570D+00 0.434D+00
 Gap=     0.275 Goal=   None    Shift=    0.000
 RMSDP=1.61D-04 MaxDP=8.37D-03 DE= 4.12D-04 OVMax= 4.41D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  1.20D-04    CP:  1.04D+00  1.04D+00  6.76D-01
 E= -686.779816183125     Delta-E=       -0.001422677063 Rises=F Damp=F
 DIIS: error= 1.18D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -686.779816183125     IErMin= 4 ErrMin= 1.18D-04
 ErrMax= 1.18D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.89D-05 BMatP= 1.31D-03
 IDIUse=3 WtCom= 9.99D-01 WtEn= 1.18D-03
 Coeff-Com: -0.119D-01 0.269D+00 0.217D+00 0.526D+00
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.118D-01 0.269D+00 0.217D+00 0.526D+00
 Gap=     0.275 Goal=   None    Shift=    0.000
 RMSDP=3.85D-05 MaxDP=1.57D-03 DE=-1.42D-03 OVMax= 6.12D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  3.53D-05    CP:  1.04D+00  1.04D+00  6.66D-01  9.41D-01
 E= -686.779833679358     Delta-E=       -0.000017496234 Rises=F Damp=F
 DIIS: error= 2.49D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -686.779833679358     IErMin= 5 ErrMin= 2.49D-05
 ErrMax= 2.49D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.37D-07 BMatP= 1.89D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.182D-02 0.256D-01 0.204D-01 0.176D+00 0.780D+00
 Coeff:     -0.182D-02 0.256D-01 0.204D-01 0.176D+00 0.780D+00
 Gap=     0.275 Goal=   None    Shift=    0.000
 RMSDP=8.34D-06 MaxDP=2.78D-04 DE=-1.75D-05 OVMax= 1.44D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  5.85D-06    CP:  1.04D+00  1.04D+00  6.79D-01  9.68D-01  9.34D-01
 E= -686.779834364935     Delta-E=       -0.000000685577 Rises=F Damp=F
 DIIS: error= 5.67D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -686.779834364935     IErMin= 6 ErrMin= 5.67D-06
 ErrMax= 5.67D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.43D-08 BMatP= 7.37D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.151D-03-0.325D-02-0.285D-02 0.451D-01 0.331D+00 0.630D+00
 Coeff:     -0.151D-03-0.325D-02-0.285D-02 0.451D-01 0.331D+00 0.630D+00
 Gap=     0.275 Goal=   None    Shift=    0.000
 RMSDP=2.31D-06 MaxDP=6.23D-05 DE=-6.86D-07 OVMax= 4.34D-05

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  1.57D-06    CP:  1.04D+00  1.04D+00  6.79D-01  9.73D-01  9.51D-01
                    CP:  7.53D-01
 E= -686.779834419082     Delta-E=       -0.000000054147 Rises=F Damp=F
 DIIS: error= 3.06D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -686.779834419082     IErMin= 7 ErrMin= 3.06D-06
 ErrMax= 3.06D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.44D-08 BMatP= 7.43D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.957D-04-0.411D-02-0.350D-02 0.764D-02 0.109D+00 0.350D+00
 Coeff-Com:  0.541D+00
 Coeff:      0.957D-04-0.411D-02-0.350D-02 0.764D-02 0.109D+00 0.350D+00
 Coeff:      0.541D+00
 Gap=     0.275 Goal=   None    Shift=    0.000
 RMSDP=6.29D-07 MaxDP=2.11D-05 DE=-5.41D-08 OVMax= 1.85D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  5.42D-07    CP:  1.04D+00  1.04D+00  6.79D-01  9.74D-01  9.55D-01
                    CP:  7.64D-01  8.54D-01
 E= -686.779834429324     Delta-E=       -0.000000010243 Rises=F Damp=F
 DIIS: error= 6.21D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -686.779834429324     IErMin= 8 ErrMin= 6.21D-07
 ErrMax= 6.21D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.25D-10 BMatP= 1.44D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.521D-04-0.168D-02-0.145D-02 0.357D-03 0.289D-01 0.127D+00
 Coeff-Com:  0.271D+00 0.576D+00
 Coeff:      0.521D-04-0.168D-02-0.145D-02 0.357D-03 0.289D-01 0.127D+00
 Coeff:      0.271D+00 0.576D+00
 Gap=     0.275 Goal=   None    Shift=    0.000
 RMSDP=2.15D-07 MaxDP=5.63D-06 DE=-1.02D-08 OVMax= 4.21D-06

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  1.65D-07    CP:  1.04D+00  1.04D+00  6.79D-01  9.75D-01  9.54D-01
                    CP:  7.75D-01  8.36D-01  7.96D-01
 E= -686.779834429900     Delta-E=       -0.000000000575 Rises=F Damp=F
 DIIS: error= 1.61D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -686.779834429900     IErMin= 9 ErrMin= 1.61D-07
 ErrMax= 1.61D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.24D-11 BMatP= 8.25D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.153D-04-0.394D-03-0.350D-03-0.523D-03 0.347D-02 0.264D-01
 Coeff-Com:  0.752D-01 0.259D+00 0.637D+00
 Coeff:      0.153D-04-0.394D-03-0.350D-03-0.523D-03 0.347D-02 0.264D-01
 Coeff:      0.752D-01 0.259D+00 0.637D+00
 Gap=     0.275 Goal=   None    Shift=    0.000
 RMSDP=5.31D-08 MaxDP=2.41D-06 DE=-5.75D-10 OVMax= 1.12D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  4.55D-08    CP:  1.04D+00  1.04D+00  6.79D-01  9.75D-01  9.54D-01
                    CP:  7.78D-01  8.38D-01  8.03D-01  9.03D-01
 E= -686.779834430001     Delta-E=       -0.000000000101 Rises=F Damp=F
 DIIS: error= 5.78D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -686.779834430001     IErMin=10 ErrMin= 5.78D-08
 ErrMax= 5.78D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.16D-12 BMatP= 5.24D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.211D-05-0.209D-04-0.248D-04-0.331D-03-0.149D-02 0.115D-03
 Coeff-Com:  0.107D-01 0.738D-01 0.326D+00 0.591D+00
 Coeff:      0.211D-05-0.209D-04-0.248D-04-0.331D-03-0.149D-02 0.115D-03
 Coeff:      0.107D-01 0.738D-01 0.326D+00 0.591D+00
 Gap=     0.275 Goal=   None    Shift=    0.000
 RMSDP=1.86D-08 MaxDP=4.70D-07 DE=-1.01D-10 OVMax= 4.36D-07

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  1.30D-08    CP:  1.04D+00  1.04D+00  6.79D-01  9.75D-01  9.54D-01
                    CP:  7.77D-01  8.43D-01  8.07D-01  8.99D-01  8.22D-01
 E= -686.779834430021     Delta-E=       -0.000000000020 Rises=F Damp=F
 DIIS: error= 2.15D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -686.779834430021     IErMin=11 ErrMin= 2.15D-08
 ErrMax= 2.15D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.61D-13 BMatP= 7.16D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.989D-07 0.173D-04 0.120D-04-0.145D-03-0.111D-02-0.206D-02
 Coeff-Com: -0.139D-03 0.205D-01 0.129D+00 0.334D+00 0.520D+00
 Coeff:      0.989D-07 0.173D-04 0.120D-04-0.145D-03-0.111D-02-0.206D-02
 Coeff:     -0.139D-03 0.205D-01 0.129D+00 0.334D+00 0.520D+00
 Gap=     0.275 Goal=   None    Shift=    0.000
 RMSDP=4.94D-09 MaxDP=1.68D-07 DE=-2.00D-11 OVMax= 1.36D-07

 SCF Done:  E(RB3LYP) =  -686.779834430     A.U. after   11 cycles
            NFock= 11  Conv=0.49D-08     -V/T= 2.0093
 KE= 6.804473619085D+02 PE=-3.273140683794D+03 EE= 1.073700286391D+03
 Leave Link  502 at Mon Sep 27 11:15:12 2021, MaxMem=  6442450944 cpu:            1158.1 elap:             145.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   354
 NBasis=   354 NAE=    48 NBE=    48 NFC=     0 NFV=     0
 NROrb=    354 NOA=    48 NOB=    48 NVA=   306 NVB=   306

 **** Warning!!: The largest alpha MO coefficient is  0.49783702D+02

 Leave Link  801 at Mon Sep 27 11:15:13 2021, MaxMem=  6442450944 cpu:               0.5 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         7279 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    6442450944 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.088559
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          24
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 2.45D-13 8.33D-09 XBig12= 1.00D+00 1.75D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 2.45D-13 8.33D-09 XBig12= 1.77D-01 4.68D-02.
     11 vectors produced by pass  2 Test12= 2.45D-13 8.33D-09 XBig12= 4.63D-02 2.38D-02.
     11 vectors produced by pass  3 Test12= 2.45D-13 8.33D-09 XBig12= 4.06D-03 8.65D-03.
     11 vectors produced by pass  4 Test12= 2.45D-13 8.33D-09 XBig12= 8.33D-04 2.70D-03.
     11 vectors produced by pass  5 Test12= 2.45D-13 8.33D-09 XBig12= 4.67D-05 1.08D-03.
     11 vectors produced by pass  6 Test12= 2.45D-13 8.33D-09 XBig12= 1.19D-06 1.35D-04.
     11 vectors produced by pass  7 Test12= 2.45D-13 8.33D-09 XBig12= 4.33D-08 2.37D-05.
     11 vectors produced by pass  8 Test12= 2.45D-13 8.33D-09 XBig12= 9.44D-10 2.61D-06.
      9 vectors produced by pass  9 Test12= 2.45D-13 8.33D-09 XBig12= 1.41D-11 3.60D-07.
      4 vectors produced by pass 10 Test12= 2.45D-13 8.33D-09 XBig12= 1.54D-13 3.40D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 3.55D-14
 Solved reduced A of dimension   112 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.088559:
                1             2             3 
      1  0.110689D+03
      2  0.120037D+01  0.103930D+03
      3 -0.179842D+01  0.140199D+00  0.868762D+02
 Isotropic polarizability for W=    0.088559      100.50 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.088559:
                 1             2             3 
      1   0.181606D+02 -0.132224D+02  0.123626D+02
      2  -0.218164D+02  0.110423D+02  0.883545D+01
      3   0.365573D+01  0.218008D+01 -0.211981D+02
      4  -0.147220D+02 -0.106993D+02 -0.114431D+02
      5  -0.860204D+01 -0.104705D+02  0.286751D+02
      6  -0.829225D+01 -0.107024D+02 -0.569384D+01
 Dipole-magnetic dipole polarizability for W=    0.088559:
                 1             2             3 
      1   0.192307D+01 -0.859081D+01 -0.128434D+01
      2   0.120368D+02 -0.358763D+01  0.142970D+02
      3   0.264842D+01 -0.735284D+01  0.182586D+01
 DQ contribution to OR G for W=    0.088559:
                 1             2             3 
      1   0.972623D+00 -0.195379D+02  0.787392D+01
      2   0.209647D+02 -0.315089D+01  0.250193D+02
      3  -0.149961D+01 -0.111171D+02  0.217826D+01
 Optical Rotation G' tensor for W=    0.088559:
                 1             2             3 
      1  -0.637731D+00 -0.683148D+00  0.455768D+00
      2  -0.683148D+00  0.108674D+01  0.174517D-02
      3   0.455768D+00  0.174517D-02 -0.287715D+00
 OR G Eigenvalues:    -1.1053    -0.0722     1.3388  Iso=    -0.0538
 Eigenvectors:
   (1)   0.842482   0.262932  -0.470203
   (2)   0.413934   0.242675   0.877364
   (3)  -0.344794   0.933796  -0.095613
 w=    0.088559 a.u., Optical Rotation Beta=     -0.0538 au.
 Molar Mass =    180.1572 grams/mole, [Alpha] ( 5145.0 A) =      -15.13 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   62835 ScalPx= 3.82D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   62835 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 9.78D+02
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 4.08D-14 2.78D-09 XBig12= 1.00D+00 3.30D-01.
     30 vectors produced by pass  1 Test12= 4.08D-14 2.78D-09 XBig12= 9.17D-02 2.60D-02.
     30 vectors produced by pass  2 Test12= 4.08D-14 2.78D-09 XBig12= 2.87D-03 5.10D-03.
     30 vectors produced by pass  3 Test12= 4.08D-14 2.78D-09 XBig12= 7.14D-05 7.72D-04.
     30 vectors produced by pass  4 Test12= 4.08D-14 2.78D-09 XBig12= 6.32D-07 7.75D-05.
     30 vectors produced by pass  5 Test12= 4.08D-14 2.78D-09 XBig12= 2.44D-09 3.88D-06.
     30 vectors produced by pass  6 Test12= 4.08D-14 2.78D-09 XBig12= 5.38D-12 2.12D-07.
     14 vectors produced by pass  7 Test12= 4.08D-14 2.78D-09 XBig12= 1.07D-14 8.25D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 1.78D-15
 Solved reduced A of dimension   224 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   62835 ScalPx= 1.36D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   62835 ScalPx= 1.36D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   62835 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 9.72D+02
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.110689D+03  0.120037D+01 -0.179842D+01
      2   0.120037D+01  0.103930D+03  0.140199D+00
      3  -0.179842D+01  0.140199D+00  0.868762D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.192307D+01 -0.859081D+01 -0.128434D+01
      2   0.120368D+02 -0.358763D+01  0.142970D+02
      3   0.264842D+01 -0.735284D+01  0.182586D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.181606D+02 -0.132224D+02  0.123626D+02
      2  -0.218164D+02  0.110423D+02  0.883545D+01
      3   0.365573D+01  0.218008D+01 -0.211981D+02
      4  -0.147220D+02 -0.106993D+02 -0.114431D+02
      5  -0.860204D+01 -0.104705D+02  0.286751D+02
      6  -0.829225D+01 -0.107024D+02 -0.569384D+01
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    72 ND12= 1 LenFil=    2595:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.370143D+01  0.333893D+00  0.212633D+00 -0.441743D+00  0.271433D+01
      2   0.333893D+00  0.347685D+01  0.232502D+00  0.271433D+01 -0.141153D+01
      3   0.212633D+00  0.232502D+00  0.105268D+01  0.535595D+00 -0.134783D+01
                 6             7             8             9            10 
      1   0.535595D+00 -0.425187D+00  0.509843D+00  0.131602D+01  0.470122D+01
      2  -0.134783D+01  0.509843D+00 -0.281650D+01 -0.128774D+01 -0.723019D+00
      3  -0.463641D+00  0.131602D+01 -0.128774D+01  0.779588D+01  0.365022D-03
                11            12            13            14            15 
      1  -0.723019D+00  0.365022D-03 -0.941297D+00 -0.268899D+01 -0.228849D+00
      2  -0.261973D+01 -0.149768D+00 -0.268899D+01 -0.635069D+00  0.747661D+00
      3  -0.149768D+00 -0.249999D+01 -0.228849D+00  0.747661D+00  0.167915D+01
                16            17            18            19            20 
      1   0.106808D+01 -0.368845D+00 -0.163168D+01  0.297266D+01 -0.276632D+00
      2  -0.368845D+00  0.176532D+01  0.935619D+00 -0.276632D+00 -0.292263D+01
      3  -0.163168D+01  0.935619D+00 -0.745830D+01 -0.381377D-01  0.462990D+00
                21            22            23            24            25 
      1  -0.381377D-01 -0.775703D+00 -0.373451D+01  0.207579D+00  0.687876D+00
      2   0.462990D+00 -0.373451D+01  0.827268D+00  0.146643D+01  0.680589D+00
      3  -0.986029D+00  0.207579D+00  0.146643D+01  0.140743D+01 -0.152418D+01
                26            27            28            29            30 
      1   0.680589D+00 -0.152418D+01 -0.147151D+01  0.222786D+01 -0.542373D+00
      2   0.231397D+01  0.109112D+01  0.222786D+01  0.273508D+01 -0.145696D+00
      3   0.109112D+01 -0.720430D+01 -0.542373D+00 -0.145696D+00  0.408436D+00
                31            32            33            34            35 
      1   0.247900D+01  0.380803D+01  0.850987D+00 -0.210043D+01  0.437918D+00
      2   0.380803D+01 -0.112794D+01 -0.169861D+01  0.437918D+00 -0.241172D+01
      3   0.850987D+00 -0.169861D+01 -0.175799D+01  0.425563D+00 -0.681326D+00
                36            37            38            39            40 
      1   0.425563D+00  0.531595D+01 -0.176532D+01 -0.206716D+00 -0.336178D+01
      2  -0.681326D+00 -0.176532D+01 -0.970394D-01 -0.316243D+00 -0.100897D+01
      3   0.717374D+01 -0.206716D+00 -0.316243D+00 -0.447455D+00 -0.325949D+00
                41            42            43            44            45 
      1  -0.100897D+01 -0.325949D+00  0.234776D+01  0.498409D+00  0.195816D+00
      2  -0.354469D+01  0.714630D+00  0.498409D+00  0.149915D+01 -0.382616D+00
      3   0.714630D+00  0.807024D+00  0.195816D+00 -0.382616D+00 -0.886389D+00
                46            47            48            49            50 
      1  -0.497804D+01 -0.649569D+00  0.223307D+00  0.140013D+01  0.254314D+01
      2  -0.649569D+00  0.872017D+00  0.533282D+00  0.254314D+01 -0.108600D+01
      3   0.223307D+00  0.533282D+00  0.155427D+01 -0.185986D+00 -0.102939D+01
                51            52            53            54            55 
      1  -0.185986D+00 -0.941761D+00 -0.104646D+00  0.167243D+01  0.548644D+01
      2  -0.102939D+01 -0.104646D+00 -0.194504D+01 -0.925906D+00 -0.329742D+00
      3  -0.215244D+01  0.167243D+01 -0.925906D+00  0.733634D+01  0.355388D+00
                56            57            58            59            60 
      1  -0.329742D+00  0.355388D+00  0.824129D+00 -0.138590D+01 -0.361025D+00
      2   0.718271D+00  0.306241D+00 -0.138590D+01  0.659772D+01  0.176951D+01
      3   0.306241D+00  0.544215D+00 -0.361025D+00  0.176951D+01  0.195587D+00
                61            62            63            64            65 
      1   0.134363D+01 -0.873897D+00 -0.624463D+00 -0.134195D+00  0.791263D-01
      2  -0.873897D+00  0.298126D+01  0.187183D+01  0.791263D-01 -0.921348D+00
      3  -0.624463D+00  0.187183D+01  0.652518D+00 -0.115070D+01  0.128867D+00
                66            67            68            69            70 
      1  -0.115070D+01  0.265148D+00 -0.740136D+00  0.115864D+00 -0.199313D+01
      2   0.128867D+00 -0.740136D+00  0.773937D+00 -0.106474D+01  0.330905D+00
      3  -0.854898D+00  0.115864D+00 -0.106474D+01  0.702411D+00 -0.973072D+00
                71            72            73            74            75 
      1   0.330905D+00 -0.973072D+00 -0.646880D+01  0.245466D+01 -0.242977D+00
      2  -0.180429D+01  0.101082D+01  0.245466D+01  0.102753D+01 -0.530223D+00
      3   0.101082D+01 -0.718530D+01 -0.242977D+00 -0.530223D+00  0.816004D+00
                76            77            78            79            80 
      1   0.535347D+01  0.676934D+00 -0.693012D+00 -0.269750D+01 -0.661047D+00
      2   0.676934D+00  0.366787D+01 -0.939667D+00 -0.661047D+00 -0.140706D+01
      3  -0.693012D+00 -0.939667D+00  0.627913D+00 -0.736490D+00  0.433343D+00
                81            82            83            84            85 
      1  -0.736490D+00 -0.705648D-01  0.285180D-01  0.115627D+01 -0.166021D+00
      2   0.433343D+00  0.285180D-01  0.597902D+00 -0.130515D-01  0.588846D+00
      3   0.169683D-01  0.115627D+01 -0.130515D-01  0.792518D+00 -0.340470D-01
                86            87            88            89            90 
      1   0.588846D+00 -0.340470D-01  0.197769D+01  0.113427D+00  0.125397D+00
      2  -0.433329D+00  0.904197D+00  0.113427D+00  0.153335D+01 -0.636113D+00
      3   0.904197D+00 -0.928708D+00  0.125397D+00 -0.636113D+00  0.769629D+01
                91            92            93            94            95 
      1   0.483972D+00 -0.238744D+00  0.113717D+01 -0.452009D-01  0.992174D+00
      2  -0.238744D+00  0.102257D+01  0.342816D-01  0.992174D+00 -0.316065D+00
      3   0.113717D+01  0.342816D-01  0.713587D+00  0.559419D-01  0.859303D+00
                96            97            98            99           100 
      1   0.559419D-01  0.218476D+01 -0.234164D+00  0.116671D+01  0.389055D+01
      2   0.859303D+00 -0.234164D+00  0.174166D+01 -0.610704D-01  0.189432D+01
      3  -0.877236D-01  0.116671D+01 -0.610704D-01  0.678783D+01 -0.114672D+01
               101           102           103           104           105 
      1   0.189432D+01 -0.114672D+01  0.768453D+00  0.341510D+01 -0.711902D-01
      2   0.437296D+01 -0.887436D-01  0.341510D+01 -0.114008D+01 -0.176723D+01
      3  -0.887436D-01  0.639692D+00 -0.711902D-01 -0.176723D+01 -0.868282D+00
               106           107           108           109           110 
      1  -0.169336D+01 -0.696616D+00  0.142940D+01  0.243804D+01 -0.216497D+01
      2  -0.696616D+00 -0.369890D+01  0.691416D+00 -0.216497D+01 -0.240499D+01
      3   0.142940D+01  0.691416D+00 -0.550334D+00  0.156347D+01 -0.201665D+00
               111           112           113           114           115 
      1   0.156347D+01 -0.166722D+01 -0.429315D+01 -0.650079D+00  0.287033D+01
      2  -0.201665D+00 -0.429315D+01  0.102126D+01  0.376311D+01 -0.907535D+00
      3  -0.779646D+00 -0.650079D+00  0.376311D+01  0.210193D+01 -0.334313D+01
               116           117           118           119           120 
      1  -0.907535D+00 -0.334313D+01  0.412772D+00 -0.148468D+00 -0.140011D+01
      2   0.386889D+01  0.267804D+01 -0.148468D+00 -0.437395D+00  0.684886D-01
      3   0.267804D+01 -0.604939D+00 -0.140011D+01  0.684886D-01 -0.200455D+00
               121           122           123           124           125 
      1  -0.123595D+00 -0.418441D+00 -0.236640D+00 -0.199284D+01 -0.282779D+00
      2  -0.418441D+00  0.609063D+00 -0.106713D+01 -0.282779D+00 -0.136109D+01
      3  -0.236640D+00 -0.106713D+01  0.552334D+00  0.549378D+00  0.391490D+00
               126           127           128           129           130 
      1   0.549378D+00 -0.249866D+01 -0.188172D+01  0.913708D+00 -0.153613D+01
      2   0.391490D+00 -0.188172D+01 -0.345279D+01 -0.224485D+00 -0.241434D+01
      3  -0.847411D+01  0.913708D+00 -0.224485D+00 -0.373134D+00 -0.625056D-01
               131           132           133           134           135 
      1  -0.241434D+01 -0.625056D-01  0.205078D+01  0.666151D+00 -0.110679D+01
      2   0.296538D+01  0.257073D+01  0.666151D+00  0.551211D+01 -0.228383D-02
      3   0.257073D+01  0.110224D+01 -0.110679D+01 -0.228383D-02  0.111659D+01
               136           137           138           139           140 
      1  -0.470506D+00 -0.474252D-01 -0.140163D+01 -0.225464D-01 -0.625300D+00
      2  -0.474252D-01 -0.335335D+00 -0.316064D+00 -0.625300D+00  0.132514D+00
      3  -0.140163D+01 -0.316064D+00 -0.932382D+00  0.660911D-01 -0.942492D+00
               141           142           143           144           145 
      1   0.660911D-01 -0.244941D+01 -0.560830D+00 -0.151109D+01 -0.771587D+01
      2  -0.942492D+00 -0.560830D+00 -0.149973D+01 -0.408848D+00  0.297207D+01
      3   0.451638D+00 -0.151109D+01 -0.408848D+00 -0.776792D+01  0.693345D+00
               146           147           148           149           150 
      1   0.297207D+01  0.693345D+00  0.155122D+01 -0.132439D+01 -0.137052D+00
      2  -0.327015D+01 -0.624301D+00 -0.132439D+01  0.143654D+01  0.276715D-01
      3  -0.624301D+00 -0.118688D+01 -0.137052D+00  0.276715D-01  0.476063D+00
               151           152           153           154           155 
      1  -0.134151D+00  0.950580D-02 -0.730404D+00 -0.530453D+01 -0.239450D+01
      2   0.950580D-02 -0.173694D+00  0.551082D+00 -0.239450D+01 -0.222548D+01
      3  -0.730404D+00  0.551082D+00  0.489606D+00  0.742438D+00  0.463128D+00
               156           157           158           159           160 
      1   0.742438D+00 -0.467553D+01 -0.267315D+01  0.685197D+00  0.167449D+01
      2   0.463128D+00 -0.267315D+01 -0.330423D+01  0.702657D+00  0.873812D+00
      3  -0.106716D+01  0.685197D+00  0.702657D+00 -0.855696D+00 -0.122512D+01
               161           162           163           164           165 
      1   0.873812D+00 -0.122512D+01 -0.652383D+00  0.707934D+00  0.331686D+00
      2   0.105852D+01 -0.623460D+00  0.707934D+00 -0.190016D+01 -0.888697D-01
      3  -0.623460D+00  0.536943D+00  0.331686D+00 -0.888697D-01 -0.244874D+00
               166           167           168           169           170 
      1   0.162099D+01  0.610375D-01 -0.207233D+00  0.645374D+00  0.193337D-01
      2   0.610375D-01  0.831397D+01  0.746107D+00  0.193337D-01  0.205435D+01
      3  -0.207233D+00  0.746107D+00  0.133334D+01 -0.593505D-01  0.110905D+01
               171           172           173           174           175 
      1  -0.593505D-01  0.368132D+01  0.829171D+00  0.164453D+01  0.182133D+01
      2   0.110905D+01  0.829171D+00  0.194746D+01 -0.114178D+01  0.188783D+01
      3   0.226489D+00  0.164453D+01 -0.114178D+01  0.226664D+01 -0.528747D+00
               176           177           178           179           180 
      1   0.188783D+01 -0.528747D+00  0.134784D+01 -0.686018D+00  0.347843D+01
      2   0.173984D+01  0.650545D-01 -0.686018D+00 -0.634873D+00 -0.854362D+00
      3   0.650545D-01  0.136230D+01  0.347843D+01 -0.854362D+00  0.356371D+01
               181           182           183           184           185 
      1   0.434177D+01  0.230530D+01 -0.112775D+01  0.394936D+01  0.240917D+01
      2   0.230530D+01  0.193287D+01 -0.385167D+00  0.240917D+01  0.346431D+01
      3  -0.112775D+01 -0.385167D+00  0.108004D+01 -0.595599D+00 -0.135516D+01
               186           187           188           189           190 
      1  -0.595599D+00 -0.151623D+01 -0.364870D+00  0.142845D+01  0.210027D+01
      2  -0.135516D+01 -0.364870D+00 -0.108478D+01  0.759535D+00 -0.147299D+01
      3   0.109899D+01  0.142845D+01  0.759535D+00 -0.801328D+00 -0.158635D+01
               191           192           193           194           195 
      1  -0.147299D+01 -0.158635D+01 -0.287562D+01  0.318947D+01  0.141524D+01
      2   0.144185D+01  0.674642D+00  0.318947D+01 -0.517941D+01 -0.287190D+01
      3   0.674642D+00  0.105548D+01  0.141524D+01 -0.287190D+01 -0.313456D+01
               196           197           198           199           200 
      1  -0.232749D+01  0.137846D+01  0.199252D+01 -0.211450D+00 -0.788436D+00
      2   0.137846D+01 -0.252642D+01 -0.257933D+01 -0.788436D+00  0.200357D+01
      3   0.199252D+01 -0.257933D+01 -0.358644D+01 -0.331468D+00  0.404616D+00
               201           202           203           204           205 
      1  -0.331468D+00 -0.124367D+01 -0.257343D+00  0.140223D+00 -0.705346D+00
      2   0.404616D+00 -0.257343D+00 -0.102007D+02 -0.189512D+01 -0.111155D+00
      3   0.225219D+00  0.140223D+00 -0.189512D+01 -0.161128D+01 -0.751746D-02
               206           207           208           209           210 
      1  -0.111155D+00 -0.751746D-02 -0.214703D+01 -0.951311D+00  0.200639D+00
      2  -0.443290D+01 -0.201880D+01 -0.951311D+00 -0.156188D+01  0.917016D+00
      3  -0.201880D+01 -0.105015D+01  0.200639D+00  0.917016D+00 -0.157588D+01
               211           212           213           214           215 
      1  -0.215717D+01 -0.721434D+00  0.245200D+00  0.778207D+00  0.334052D+00
      2  -0.721434D+00 -0.317060D+01  0.164221D+01  0.334052D+00  0.146840D+01
      3   0.245200D+00  0.164221D+01 -0.203803D+01 -0.306806D+00 -0.106149D+01
               216 
      1  -0.306806D+00
      2  -0.106149D+01
      3   0.217661D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.524295D-01  0.300467D+00 -0.230817D+01 -0.789541D+00  0.568076D+00
      2  -0.308703D+00 -0.280865D+00 -0.318671D+00  0.624105D+00  0.169757D+01
      3  -0.236391D+01 -0.303623D+00  0.212112D-01  0.444287D+01  0.164600D+01
                 6             7             8             9            10 
      1   0.130652D+01 -0.124748D+01  0.436048D+01 -0.720467D+01 -0.525872D+00
      2   0.131624D+01 -0.398060D+01  0.441309D+00 -0.515435D+01 -0.189463D+01
      3  -0.364103D+00  0.875601D-01 -0.189671D+01  0.295902D+00 -0.222676D+01
                11            12            13            14            15 
      1  -0.145843D+01 -0.674568D+00  0.380082D+00  0.168566D+00 -0.193996D+01
      2  -0.814529D+00  0.258790D+01 -0.192952D+00 -0.138263D+01 -0.296618D+01
      3  -0.539688D+01 -0.123619D+00  0.439449D+00 -0.517935D-01  0.146543D+01
                16            17            18            19            20 
      1  -0.102803D+01  0.428828D+01 -0.134368D+01  0.125917D+00 -0.353501D+00
      2  -0.121536D+01 -0.136430D+01  0.104607D+02 -0.302904D+00  0.838085D+00
      3  -0.435923D+00  0.237585D+01  0.199228D+01  0.294464D+01 -0.694607D+00
                21            22            23            24            25 
      1   0.280684D+01 -0.289718D+00 -0.192399D+01 -0.196387D+01  0.261858D+01
      2   0.102076D+01 -0.102151D+01  0.723326D+00 -0.548775D+00 -0.479907D+01
      3  -0.352824D+00  0.459237D+01 -0.497613D+01 -0.222311D+01 -0.100552D+00
                26            27            28            29            30 
      1   0.202402D+01  0.618240D+01 -0.214510D+01 -0.864709D+00  0.108810D+01
      2   0.483256D+00 -0.321735D+01 -0.649054D+01  0.361492D+01 -0.839176D+00
      3  -0.110686D+01 -0.270401D+01 -0.714310D+01 -0.896453D+01 -0.647951D+00
                31            32            33            34            35 
      1  -0.812780D+00  0.156448D+00  0.204592D+01  0.155936D+00  0.408256D+01
      2   0.241753D+01 -0.114586D+01 -0.379873D+01 -0.494883D+01  0.294460D+00
      3  -0.591845D+01  0.113706D+01  0.339807D+01  0.211168D+00  0.329628D+01
                36            37            38            39            40 
      1  -0.587537D+00  0.150844D+01  0.893633D-01 -0.182144D+01  0.137670D+01
      2   0.113286D+02  0.344293D+01 -0.840000D+00  0.947778D+01 -0.202753D+01
      3   0.184723D+01 -0.761835D+01 -0.404983D+01  0.146825D+00  0.151558D+02
                41            42            43            44            45 
      1   0.254185D+01 -0.585203D+01  0.204534D+01  0.229260D+01  0.729141D+00
      2  -0.117817D+01  0.176949D+01 -0.483421D+01 -0.131783D+01  0.147780D+00
      3   0.544710D+01 -0.310390D+00 -0.279336D+01 -0.132877D+01 -0.329988D+00
                46            47            48            49            50 
      1   0.653813D+00 -0.874933D+00  0.233496D+01 -0.974151D+00 -0.325518D+01
      2  -0.307739D+01 -0.127875D+01 -0.609609D+01 -0.753844D-01  0.241728D+01
      3   0.587292D+01  0.400784D+01 -0.196381D+00  0.184775D+01 -0.157859D+01
                51            52            53            54            55 
      1  -0.520797D+00  0.196897D+00  0.119675D+01  0.804799D+01 -0.894128D+00
      2   0.167307D+01 -0.655511D+01 -0.567664D+00 -0.921279D+01 -0.593008D+01
      3  -0.180418D+01  0.832292D+00 -0.137958D+01 -0.342888D+01  0.177053D+02
                56            57            58            59            60 
      1   0.355117D+00 -0.421184D+00  0.182618D+01 -0.225198D+01 -0.620965D+01
      2   0.246602D+01  0.184115D+01  0.606536D+00 -0.258055D+01 -0.164426D+01
      3  -0.315554D+01 -0.228018D+00  0.552367D+01  0.661678D+01  0.835813D+00
                61            62            63            64            65 
      1   0.447395D+00  0.772081D+00 -0.286101D+01  0.121329D+01  0.297574D+00
      2  -0.352484D+01 -0.146572D+01 -0.138217D+01  0.102853D+01 -0.447036D+00
      3   0.313549D+01  0.277093D+01  0.110484D+01 -0.804522D-01 -0.174460D+01
                66            67            68            69            70 
      1   0.714476D+00 -0.225607D-01  0.146399D+01 -0.120705D+01  0.798918D+00
      2   0.182307D+01 -0.263196D-01  0.529179D+00 -0.213534D+00 -0.304812D+01
      3  -0.103406D+01  0.854352D+00 -0.276029D+00 -0.791064D+00 -0.258392D+01
                71            72            73            74            75 
      1   0.326706D+01  0.891985D+01  0.615396D+00 -0.130871D+00  0.599756D+00
      2  -0.431594D+00  0.632576D+01  0.462980D+01  0.234011D+01  0.451159D+01
      3  -0.166862D+01 -0.911747D-01  0.104625D+02 -0.212921D+01 -0.244728D+01
                76            77            78            79            80 
      1  -0.128436D+01  0.110062D+01 -0.177466D+01  0.960891D+00  0.268602D+01
      2   0.219716D+01  0.284469D+01 -0.323948D+01 -0.215067D+01 -0.178895D+01
      3   0.795057D+01  0.167395D+02 -0.292567D+01 -0.238647D+01 -0.559383D+01
                81            82            83            84            85 
      1  -0.433337D-01  0.267001D+00  0.862847D+00  0.259915D+00  0.573305D+00
      2   0.218959D+01 -0.302822D+01  0.908533D-01 -0.114589D+01  0.576284D+00
      3   0.138665D+01  0.105918D-01 -0.704808D-01 -0.237183D+00  0.174341D+01
                86            87            88            89            90 
      1  -0.245695D+00 -0.137481D+01  0.189422D+00  0.351490D+01  0.102143D+01
      2  -0.156895D+01  0.136231D+01 -0.453778D+01  0.749869D+00 -0.113997D+02
      3  -0.578137D+00  0.130328D+01 -0.453650D+00  0.214531D+01 -0.492665D+00
                91            92            93            94            95 
      1  -0.190811D+01  0.829367D+00 -0.100686D+01  0.437869D+00 -0.147415D+01
      2   0.130966D+00  0.698511D+00  0.501136D+00  0.105708D+01  0.857298D-02
      3   0.120845D+01 -0.207410D+01  0.121591D+01  0.188801D+00  0.948811D+00
                96            97            98            99           100 
      1  -0.131339D+00 -0.197201D+01  0.388944D+01 -0.741730D+01  0.216194D+01
      2   0.133455D+00 -0.353968D+01  0.402715D+00  0.392961D+01 -0.223366D+00
      3  -0.561620D+00  0.259487D+01 -0.185736D+01  0.128123D+01  0.811274D+01
               101           102           103           104           105 
      1  -0.200996D+01 -0.357626D+01 -0.649200D+00  0.743995D+01 -0.142064D+01
      2  -0.362404D+00  0.440092D+01  0.934738D+00 -0.121651D+01  0.112228D+01
      3  -0.100391D+02 -0.235021D+01 -0.226342D+00  0.104978D+02  0.300156D+01
               106           107           108           109           110 
      1  -0.253736D+01  0.490748D+01  0.332790D+01  0.317470D+01  0.111566D+01
      2  -0.107567D+01  0.635051D+00 -0.130971D+01  0.936682D+01 -0.344312D+01
      3  -0.475544D+01  0.506321D+01  0.206812D+01  0.684906D+01  0.769644D+01
               111           112           113           114           115 
      1  -0.955569D+00  0.149777D+01  0.157409D+01 -0.355194D+01 -0.122765D+01
      2   0.115400D+01 -0.399889D+01  0.870413D+01  0.639329D+01 -0.861251D+01
      3  -0.249770D+00  0.180872D+02 -0.560945D+00 -0.988200D+01  0.741435D+00
               116           117           118           119           120 
      1  -0.234495D+01 -0.220599D+01 -0.668052D-02  0.101316D+01  0.376754D+00
      2   0.689739D+01 -0.412704D+01 -0.240252D+01 -0.239210D+00 -0.129460D+00
      3  -0.985510D+01 -0.585996D+01  0.265867D+00  0.898512D-01  0.260190D+00
               121           122           123           124           125 
      1   0.263984D+00 -0.145030D+01 -0.933862D-01  0.258881D+00  0.450613D+01
      2  -0.724174D-01 -0.213128D+01  0.791588D+00 -0.544960D+01  0.376550D+00
      3   0.235663D+01 -0.163221D+01  0.165128D+01  0.624889D+00  0.228717D+01
               126           127           128           129           130 
      1  -0.101016D+01  0.152709D+01 -0.418124D+00 -0.320092D+01  0.926377D+00
      2  -0.122209D+02 -0.246403D+01 -0.168969D+00  0.435071D+01  0.402953D+00
      3  -0.174435D+01  0.552263D+01 -0.728286D+01 -0.261033D+01  0.403983D+01
               131           132           133           134           135 
      1   0.122284D+02 -0.202173D+01 -0.168000D+01  0.601964D+01  0.551257D+01
      2  -0.432964D+01  0.532824D+00 -0.349560D+00  0.100652D+00 -0.252540D+01
      3   0.104006D+02  0.462558D+01 -0.573179D+01  0.861523D+01  0.315838D+01
               136           137           138           139           140 
      1  -0.190138D+01  0.983977D-01 -0.947920D+00  0.604148D+00 -0.172565D+01
      2   0.127974D+01  0.693904D+00  0.159470D+01  0.812302D+00  0.759370D+00
      3   0.104452D+01 -0.178304D+01  0.168824D+01  0.481320D-01  0.162322D+01
               141           142           143           144           145 
      1   0.577325D+00 -0.777070D+00  0.498349D+01 -0.861332D+01 -0.292528D+00
      2  -0.106382D+01 -0.324259D+01 -0.189919D+00  0.940201D+01  0.484075D+01
      3  -0.104570D+01  0.327435D+01 -0.168833D+01  0.259062D+01 -0.193318D+02
               146           147           148           149           150 
      1  -0.245713D+00  0.295280D+01 -0.119523D+00  0.221118D+00 -0.880818D+00
      2  -0.112248D+01  0.268208D+01 -0.820601D+00  0.714140D+00 -0.812325D+00
      3   0.109713D+00  0.833134D+00  0.204422D+01 -0.227708D+01 -0.580629D+00
               151           152           153           154           155 
      1   0.152860D+01 -0.322462D+00 -0.853933D+00  0.152949D-01  0.587689D-01
      2   0.565091D+00 -0.886813D+00 -0.371325D+00 -0.238690D+01 -0.167191D+01
      3  -0.825247D+00 -0.509867D+00 -0.724381D+00 -0.815879D+01 -0.858137D+01
               156           157           158           159           160 
      1  -0.741154D+00  0.480171D+00 -0.862232D+00 -0.943147D+00 -0.348783D+00
      2   0.378223D+01 -0.246455D+01 -0.257107D+01  0.365512D+01  0.259854D+01
      3   0.183798D+01 -0.799415D+01 -0.143313D+02  0.253663D+01  0.320697D+01
               161           162           163           164           165 
      1   0.785782D+00  0.401802D+00 -0.165015D+01  0.192597D+01  0.149958D+01
      2   0.195937D+01 -0.149472D+01  0.231316D+00  0.462436D-01 -0.533644D+00
      3   0.418295D+01 -0.174846D+01 -0.509155D+01  0.517113D+01  0.178253D+01
               166           167           168           169           170 
      1   0.114178D+01 -0.708520D+01 -0.512237D+01  0.527606D+00 -0.324628D+01
      2  -0.821489D-01  0.725812D+00  0.123094D+01 -0.117933D+01  0.114373D+01
      3   0.644913D+01 -0.142717D+02 -0.231893D+01  0.294171D+01 -0.397178D+01
               171           172           173           174           175 
      1  -0.151689D+01  0.267598D+01  0.286840D+01  0.163550D+01  0.143589D+01
      2   0.312120D+00 -0.643956D+00 -0.608453D+01  0.118282D+02 -0.452813D+01
      3  -0.188666D+01 -0.828745D+01 -0.101509D+02  0.283028D+01 -0.647209D+01
               176           177           178           179           180 
      1   0.383453D+01 -0.361179D+01  0.435446D+00  0.457322D+01  0.493010D+01
      2  -0.234822D+01  0.419759D+01  0.466536D+01 -0.185317D+00  0.123476D+02
      3  -0.594259D+01  0.303256D+00  0.159472D+01  0.108367D+01 -0.232722D+00
               181           182           183           184           185 
      1  -0.203810D+01 -0.158975D+01 -0.359523D+00 -0.179810D+01 -0.317314D+01
      2  -0.807860D+00  0.421490D-01  0.377957D+01  0.105677D+01 -0.277723D+01
      3  -0.827420D+01 -0.827100D+01  0.178086D+01 -0.707123D+01 -0.141521D+02
               186           187           188           189           190 
      1   0.320874D-01  0.303192D+00  0.226593D+01 -0.646293D+00  0.139414D+00
      2   0.405999D+01  0.195599D+01  0.203929D+01 -0.127062D+01 -0.312635D+01
      3   0.445339D+01  0.145839D+01  0.387927D+01 -0.281548D+01  0.240871D+01
               191           192           193           194           195 
      1  -0.104156D+01  0.835063D+00 -0.130287D+01  0.310416D+01 -0.236781D+01
      2   0.126753D+01  0.274547D+01  0.104539D+01 -0.609855D+01 -0.929519D+01
      3  -0.460374D+01 -0.107045D+01 -0.443857D+01  0.133813D+02  0.714628D+01
               196           197           198           199           200 
      1   0.452200D+00  0.146162D+01 -0.171241D+01 -0.375684D+00  0.200782D+01
      2   0.216823D+01 -0.649020D+01 -0.940861D+01  0.842161D+00 -0.210643D+00
      3  -0.141878D+01  0.670671D+01  0.615107D+01 -0.227239D+01  0.416799D+01
               201           202           203           204           205 
      1   0.153617D+01  0.393455D+00 -0.795485D+01 -0.614228D+01  0.248874D+00
      2  -0.135893D+00 -0.711036D+00  0.262618D+01  0.212865D+01 -0.104593D+01
      3   0.150745D+01  0.452633D+01 -0.164686D+02 -0.392390D+01  0.244906D+01
               206           207           208           209           210 
      1  -0.602299D+01 -0.339737D+01 -0.228810D+01 -0.283536D+01 -0.626333D+00
      2   0.263868D+01  0.128437D+01  0.639466D+01  0.493608D+01 -0.544381D+01
      3  -0.731047D+01 -0.353448D+01  0.784100D+01  0.608644D+01 -0.242674D+01
               211           212           213           214           215 
      1  -0.239515D+01 -0.306938D+01 -0.270401D+00  0.250001D+00  0.202521D+01
      2   0.429063D+01  0.757842D+01 -0.678455D+01 -0.320991D+01 -0.407343D+01
      3   0.717644D+01  0.925846D+01 -0.488793D+01 -0.166777D+01 -0.423929D+01
               216 
      1   0.410922D+00
      2   0.626516D+01
      3   0.371688D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.684687D+01 -0.540898D+01 -0.834550D+00 -0.405006D+01  0.577880D+01
      2  -0.300867D+01  0.837568D+01  0.292313D+00  0.632690D+01 -0.138383D+02
      3  -0.383820D+01 -0.296670D+01  0.542237D+00 -0.227684D+01  0.805946D+01
      4  -0.152888D+01 -0.559386D+01  0.702470D-02 -0.100646D+02  0.752826D+01
      5   0.850121D+00 -0.184439D+01 -0.341758D+01 -0.355216D+01  0.127323D+01
      6   0.157293D+01  0.187108D+01  0.555912D+01  0.281985D+01 -0.722647D+01
                 6             7             8             9            10 
      1   0.345160D+01  0.137371D+01  0.423549D+01  0.520445D+01 -0.266401D+02
      2  -0.174282D+01  0.286756D+01 -0.103877D+02  0.299444D+01  0.146693D+02
      3  -0.170879D+01 -0.424128D+01  0.615226D+01 -0.819888D+01  0.119708D+02
      4   0.215626D+01 -0.222345D+01  0.673318D+01  0.502230D+01  0.390129D+01
      5   0.349182D+01 -0.263511D+01  0.321083D+01 -0.159558D+02 -0.592893D+00
      6  -0.761202D+01  0.439744D+01 -0.458792D+01  0.195227D+02 -0.342739D+00
                11            12            13            14            15 
      1  -0.200054D+01  0.202725D+01  0.313343D+01  0.777559D+01 -0.735457D-01
      2   0.444977D+01  0.135029D+01 -0.166603D+01 -0.199621D+01 -0.683120D+00
      3  -0.244923D+01 -0.337754D+01 -0.146741D+01 -0.577937D+01  0.756666D+00
      4   0.574586D+00  0.236308D+00  0.810184D+01  0.124546D+01 -0.196330D+01
      5   0.567361D-01 -0.749889D-02  0.108748D+01 -0.110645D+01 -0.522940D+01
      6   0.591787D+00  0.220701D+01 -0.106155D+01  0.227734D+00  0.150133D+00
                16            17            18            19            20 
      1  -0.456238D+01  0.231510D+01  0.129968D+02 -0.322390D+01  0.494329D+01
      2   0.288650D+01 -0.568916D+01  0.188999D+01  0.863785D+00 -0.971685D+01
      3   0.167588D+01  0.337406D+01 -0.148868D+02  0.236012D+01  0.477355D+01
      4   0.223529D+01 -0.318495D+01 -0.256828D+01 -0.176567D+01 -0.794103D+01
      5   0.667832D+01 -0.275811D+01  0.221536D+02  0.155257D+01  0.289520D+01
      6   0.743736D+00  0.402416D+00  0.546172D+01 -0.397636D+00  0.389763D+01
                21            22            23            24            25 
      1  -0.175379D+01  0.241500D+01 -0.252320D+01 -0.299286D+01  0.122220D+01
      2   0.321742D+00 -0.709810D+01 -0.507351D+00  0.278196D+01  0.374478D+01
      3   0.143205D+01  0.468310D+01  0.303055D+01  0.210897D+00 -0.496697D+01
      4   0.108872D+01 -0.114101D+02 -0.639824D+01  0.128903D+01  0.382090D+01
      5  -0.401406D+01  0.178401D+01  0.307916D+01 -0.395815D+00 -0.209216D+01
      6  -0.573078D+01  0.264907D+01  0.461429D+01 -0.239619D+01 -0.382098D+01
                26            27            28            29            30 
      1  -0.124269D+01 -0.215130D+01 -0.145312D+02  0.731851D+01 -0.534544D+00
      2   0.499172D+01  0.610317D+01  0.685532D+01 -0.856944D+01  0.148031D+01
      3  -0.374904D+01 -0.395187D+01  0.767591D+01  0.125093D+01 -0.945767D+00
      4   0.624623D+01 -0.965754D+00 -0.118473D+01 -0.196980D+01 -0.381517D+00
      5   0.705893D+00 -0.102723D+02 -0.214937D+01 -0.100472D+01 -0.156265D+01
      6   0.155632D+01 -0.153318D+02 -0.111823D+00 -0.261061D+01 -0.765630D+00
                31            32            33            34            35 
      1   0.395229D+01  0.109711D+02 -0.324388D+01 -0.515696D+01 -0.254318D+00
      2  -0.294147D+01 -0.112891D+02 -0.381060D+01  0.266334D+01 -0.667942D+00
      3  -0.101082D+01  0.318013D+00  0.705447D+01  0.249362D+01  0.922260D+00
      4  -0.344333D+01 -0.828784D+01 -0.477381D+01  0.405601D+01 -0.220465D+01
      5   0.186789D+01 -0.718206D+01 -0.792695D+01  0.169969D+00 -0.237391D+01
      6  -0.418119D+01  0.348823D+01 -0.744558D+00 -0.139865D+01  0.128738D+01
                36            37            38            39            40 
      1   0.164292D+02  0.124621D+02 -0.253239D+01  0.153031D+01 -0.102876D+01
      2   0.123220D+02 -0.747390D+01  0.246650D+01 -0.161315D+01  0.184544D+01
      3  -0.287512D+02 -0.498824D+01  0.658865D-01  0.828441D-01 -0.816677D+00
      4  -0.299043D+01 -0.818877D+01  0.135108D+02 -0.158203D+00  0.133745D+02
      5   0.190843D+02  0.240176D+01  0.378105D+00  0.153702D+02 -0.154887D+01
      6  -0.532748D-01  0.119353D+01  0.791092D+00  0.479033D+01  0.118676D+01
                41            42            43            44            45 
      1  -0.120821D+02  0.282210D+01  0.336729D+01  0.194101D+01 -0.425997D+01
      2   0.178061D+02  0.148896D+01 -0.405748D+01 -0.290056D+01 -0.267213D+01
      3  -0.572398D+01 -0.431106D+01  0.690193D+00  0.959547D+00  0.693211D+01
      4  -0.212662D+00  0.727216D+00 -0.555501D+01 -0.846609D+00 -0.189873D+01
      5   0.171054D+01  0.261348D+01  0.485073D+01 -0.147686D+01  0.123576D+01
      6  -0.335960D+00  0.556930D+01 -0.146913D+01  0.466160D+01  0.351140D+00
                46            47            48            49            50 
      1  -0.114471D+02  0.584905D+01  0.217784D+01 -0.321474D+01 -0.387332D+01
      2   0.972305D+01 -0.733633D+01  0.129406D+01 -0.408799D+01 -0.209788D+01
      3   0.172404D+01  0.148728D+01 -0.347190D+01  0.730273D+01  0.597120D+01
      4   0.577669D+01 -0.134390D+02 -0.153603D+01 -0.155334D+02 -0.863906D+01
      5   0.100026D+01 -0.746104D-01 -0.148179D+02  0.181421D+01  0.148601D+01
      6  -0.437538D+00  0.120051D+01 -0.861741D+01  0.474466D+00  0.494911D+01
                51            52            53            54            55 
      1  -0.391164D+01  0.382548D+01 -0.397123D+01  0.381852D+01 -0.150767D+02
      2  -0.104390D+01  0.326699D+01  0.720082D+01  0.149299D+02  0.595801D+01
      3   0.495554D+01 -0.709247D+01 -0.322958D+01 -0.187484D+02  0.911870D+01
      4   0.229834D+01  0.266610D+01  0.567133D+01 -0.205940D+00  0.233377D+02
      5   0.214801D+01 -0.606050D+01  0.929839D+00 -0.193983D+02  0.164314D+01
      6  -0.210711D+01 -0.367251D+01  0.214417D+01 -0.190205D+02  0.194155D+01
                56            57            58            59            60 
      1   0.310523D+01 -0.506743D+00  0.332180D+01 -0.246680D+02 -0.740749D+01
      2  -0.887346D+00  0.164277D+01 -0.593658D+01  0.406562D+02  0.571864D+01
      3  -0.221789D+01 -0.113603D+01  0.261478D+01 -0.159882D+02  0.168885D+01
      4   0.275407D+00  0.438781D+00  0.103611D+02 -0.195683D+02 -0.491936D+01
      5  -0.677428D+00  0.361439D+01  0.212513D+01 -0.350112D+01 -0.215759D+01
      6   0.906273D-01  0.285214D+00 -0.263485D+01  0.127191D+02  0.119843D+02
                61            62            63            64            65 
      1  -0.829040D+00 -0.963334D+01 -0.879237D+01  0.944843D+00  0.652497D+00
      2  -0.146884D+01  0.129596D+02  0.369418D+01 -0.309968D+01 -0.139420D+01
      3   0.229788D+01 -0.332626D+01  0.509819D+01  0.215484D+01  0.741701D+00
      4   0.669698D+01 -0.924370D+01 -0.528589D+01 -0.158396D+01  0.366160D+01
      5   0.529368D+01 -0.518183D+01 -0.337307D+01  0.422268D+01 -0.124739D+01
      6  -0.341521D+01  0.152666D+02  0.787285D+01 -0.359089D+01  0.396171D+00
                66            67            68            69            70 
      1   0.199899D+01  0.966239D+00 -0.370997D+01  0.290160D+01  0.137610D+01
      2  -0.242514D+01 -0.161949D+01  0.290930D+01 -0.300110D+01 -0.266615D+01
      3   0.426152D+00  0.653248D+00  0.800672D+00  0.994985D-01  0.129005D+01
      4  -0.316118D+01  0.328396D+01 -0.270513D+01  0.271517D+01 -0.464741D+01
      5   0.826075D+01 -0.187523D+00  0.263531D+01 -0.145913D+01  0.607980D+01
      6  -0.225924D+01  0.109917D+01 -0.424776D+01  0.757471D+01 -0.348590D+01
                71            72            73            74            75 
      1   0.429730D+01 -0.117225D+02  0.452005D+02 -0.149714D+02  0.307475D+01
      2  -0.369172D+01 -0.110149D+02 -0.274803D+02  0.719181D+01 -0.212187D+01
      3  -0.605584D+00  0.227374D+02 -0.177202D+02  0.777959D+01 -0.952878D+00
      4   0.403913D+01 -0.379006D+01 -0.183740D+02  0.170028D+01  0.297106D+01
      5  -0.258468D+01  0.177135D+02  0.550591D+01  0.398402D+01  0.839484D+01
      6   0.671349D+01 -0.226576D+02  0.572297D+00  0.343021D+00 -0.175227D+01
                76            77            78            79            80 
      1  -0.314731D+02 -0.878038D+01  0.390614D+01  0.166961D+02  0.369148D+01
      2   0.172913D+02  0.751310D+01 -0.194087D+01 -0.902146D+01 -0.171963D+01
      3   0.141818D+02  0.126727D+01 -0.196527D+01 -0.767467D+01 -0.197185D+01
      4  -0.391209D+01 -0.210958D+02  0.584664D+01  0.333861D+01  0.760203D+01
      5   0.492941D+01  0.701891D+01 -0.495022D+01  0.936731D+01 -0.350704D+01
      6   0.185820D+01  0.181761D+01  0.353382D+01 -0.102769D+01  0.223301D+01
                81            82            83            84            85 
      1   0.230312D+01  0.136129D+00  0.327334D+00 -0.572814D+01  0.712326D+00
      2  -0.499968D+01 -0.319716D+01 -0.908966D-01  0.927504D+00 -0.359211D+00
      3   0.269656D+01  0.306103D+01 -0.236438D+00  0.480063D+01 -0.353115D+00
      4  -0.328240D+01 -0.200540D+00  0.147442D+00 -0.293184D+00  0.116214D+00
      5   0.266177D+01 -0.235223D+01 -0.343637D+00  0.319403D+01 -0.111139D+00
      6   0.407607D+00 -0.804144D+00  0.394763D+00 -0.640031D+00  0.933830D-02
                86            87            88            89            90 
      1  -0.471381D+01  0.179023D+01 -0.744000D+01  0.152696D+01 -0.169371D+02
      2   0.525412D+00 -0.783462D-01  0.336983D+01  0.632057D+00 -0.134850D+02
      3   0.418840D+01 -0.171189D+01  0.407017D+01 -0.215902D+01  0.304221D+02
      4   0.129326D+01 -0.228624D+01 -0.907383D+00 -0.392270D+01  0.161087D+01
      5  -0.255040D+01  0.230639D+01  0.355141D+01  0.204676D+01 -0.213896D+02
      6  -0.162911D+01  0.732788D+01 -0.184819D+00  0.380398D+01 -0.499199D+01
                91            92            93            94            95 
      1   0.215019D+01 -0.196801D+01  0.186782D+01 -0.185406D+01 -0.524567D+00
      2  -0.349971D+01  0.270872D+01 -0.133388D+01  0.224789D+01 -0.121668D+01
      3   0.134952D+01 -0.740709D+00 -0.533938D+00 -0.393834D+00  0.174125D+01
      4   0.508320D+00  0.301525D+01  0.143472D+01  0.347580D+01  0.541563D+00
      5   0.345346D+01 -0.453894D+00  0.559960D+01 -0.178414D+00  0.218938D+01
      6   0.212601D+01  0.114719D-01  0.185238D+01  0.603737D+00  0.146200D+01
                96            97            98            99           100 
      1  -0.118527D+01  0.182048D+01 -0.313040D+01 -0.830647D+01  0.118572D+02
      2   0.208100D+01 -0.362474D+01  0.482628D+01 -0.123849D+02 -0.236763D+01
      3  -0.895729D+00  0.180427D+01 -0.169588D+01  0.206914D+02 -0.948952D+01
      4   0.250476D+01  0.256882D+01  0.322729D+01  0.100522D+01  0.191888D+02
      5   0.226682D+00  0.558539D+01 -0.294188D+00  0.131174D+02 -0.451219D+01
      6   0.425205D+01  0.241302D+01  0.278185D+01  0.148238D+02 -0.581122D+01
               101           102           103           104           105 
      1  -0.907801D+01 -0.636569D+00 -0.321656D+01  0.944555D+01  0.612042D+01
      2   0.207043D+02  0.250288D+01  0.114388D+02 -0.100396D+02 -0.848354D+01
      3  -0.116262D+02 -0.186631D+01 -0.822227D+01  0.594098D+00  0.236312D+01
      4   0.219529D+02 -0.397763D+01  0.184969D+02  0.118073D+02 -0.412369D+01
      5  -0.121082D+01  0.829265D+01 -0.123996D+01 -0.700930D+01  0.123668D+01
      6  -0.322458D+01  0.601596D+01 -0.243559D+01 -0.107626D+02  0.673443D+01
               106           107           108           109           110 
      1  -0.192076D+01  0.108818D+02 -0.121250D+01  0.100123D+02 -0.139675D+02
      2   0.285322D+00 -0.173220D+02 -0.229561D+01 -0.723567D+01  0.104309D+02
      3   0.163544D+01  0.644020D+01  0.350811D+01 -0.277666D+01  0.353654D+01
      4  -0.771964D+01 -0.107316D+02  0.613221D+01 -0.119147D+02 -0.140988D+02
      5   0.805186D+01  0.339064D+01 -0.349740D+01  0.783257D+01  0.627446D-01
      6   0.773276D+01  0.893308D+01 -0.736791D+01 -0.169752D+01  0.554744D+01
               111           112           113           114           115 
      1   0.740488D+01 -0.144269D+02 -0.191854D+02  0.307672D+01  0.936848D+01
      2  -0.163974D+01  0.104248D+02  0.677651D+01 -0.595830D+01 -0.342698D+01
      3  -0.576514D+01  0.400206D+01  0.124089D+02  0.288158D+01 -0.594149D+01
      4  -0.187656D+01 -0.243335D+02  0.770972D+01  0.220180D+02 -0.242065D+01
      5  -0.824677D+01 -0.102329D+01  0.252692D+02  0.150898D+02 -0.282520D+02
      6   0.314763D+01  0.934239D+01 -0.921206D+01 -0.989672D+01  0.906753D+01
               116           117           118           119           120 
      1   0.292493D+01 -0.123362D+02  0.138016D+01 -0.144594D+00 -0.454060D+01
      2  -0.267870D+01  0.489821D+01 -0.459402D+01  0.146374D+00  0.132785D+01
      3  -0.246236D+00  0.743797D+01  0.321386D+01 -0.177999D-02  0.321275D+01
      4   0.179594D+02  0.178523D+02 -0.199793D+00  0.141423D+01  0.111458D+01
      5   0.173128D+02 -0.296193D+01 -0.382977D+01  0.127495D+00  0.634966D+01
      6  -0.164653D+02 -0.447023D+01  0.516572D+00  0.630023D+00 -0.357661D+00
               121           122           123           124           125 
      1   0.131190D+00 -0.521157D+01  0.658933D+00 -0.405194D+01  0.112797D+01
      2  -0.482734D+00  0.741776D+00  0.179218D+01  0.509826D+01  0.837607D+00
      3   0.351544D+00  0.446980D+01 -0.245112D+01 -0.104633D+01 -0.196557D+01
      4   0.142880D+01  0.162255D+01 -0.200027D+01  0.113671D+01 -0.251876D+01
      5  -0.555252D+00 -0.263025D+01  0.208865D+01  0.700946D+01  0.130081D+01
      6   0.174089D+00 -0.315004D+00  0.750224D+01  0.664754D+00  0.490189D+01
               126           127           128           129           130 
      1  -0.215979D+02  0.101365D+02 -0.765105D+01 -0.281876D+01 -0.397081D+00
      2  -0.190856D+02  0.907006D+00  0.193708D+02  0.392899D+01  0.940586D+01
      3   0.406835D+02 -0.110435D+02 -0.117197D+02 -0.111023D+01 -0.900878D+01
      4   0.156236D+01  0.162808D+02  0.221312D+02 -0.326429D+01  0.193408D+02
      5  -0.212023D+02 -0.260518D+01  0.649590D+00  0.711717D+01 -0.310631D+00
      6   0.239730D+01 -0.383984D+01  0.152136D+01  0.570703D+01  0.206406D+00
               131           132           133           134           135 
      1   0.147987D+02  0.105699D+02 -0.446799D+01  0.173817D+02  0.127562D+01
      2  -0.160135D+02 -0.144890D+02  0.490472D+00 -0.300707D+02 -0.608604D+01
      3   0.121486D+01  0.391918D+01  0.397752D+01  0.126889D+02  0.481043D+01
      4   0.958172D+01 -0.562645D+01 -0.938613D+01 -0.161375D+02  0.369142D+01
      5  -0.711116D+01  0.580150D+00  0.695121D+01  0.261432D+00 -0.444672D+01
      6  -0.201659D+02  0.367193D+01  0.589388D+01  0.288931D+01 -0.982408D+01
               136           137           138           139           140 
      1   0.176556D+01 -0.301861D+00  0.207589D+01 -0.109812D+01 -0.210359D+01
      2  -0.496867D+01  0.322777D+00 -0.271026D+01  0.197420D+01 -0.823151D+00
      3   0.320310D+01 -0.209159D-01  0.634372D+00 -0.876078D+00  0.292674D+01
      4   0.144973D+01  0.343107D+01  0.346742D+01  0.337176D+01  0.359231D+00
      5   0.572314D+01  0.101909D+01  0.995302D+01 -0.540650D+00  0.289248D+01
      6   0.356741D+01  0.968423D+00  0.264803D+01  0.978945D+00  0.220668D+01
               141           142           143           144           145 
      1  -0.112037D+01  0.403675D+00 -0.257267D+01 -0.143438D+02  0.236893D+02
      2   0.394406D+01 -0.428583D+01  0.338954D+01 -0.187039D+02 -0.406764D+01
      3  -0.282370D+01  0.388216D+01 -0.816871D+00  0.330477D+02 -0.196216D+02
      4   0.230557D+01  0.550732D+01  0.520993D+01  0.222650D+01 -0.379969D+02
      5  -0.225480D+01  0.981211D+01  0.173187D+01  0.218958D+02 -0.646312D+01
      6   0.491035D+01  0.431648D+01  0.549779D+01  0.205364D+02  0.227249D+01
               146           147           148           149           150 
      1  -0.325526D+01 -0.372998D+00 -0.200520D+01  0.976132D+00  0.186686D+00
      2  -0.760489D+01 -0.786864D-01 -0.349482D+01  0.481212D+01 -0.104434D+00
      3   0.108602D+02  0.451685D+00  0.550002D+01 -0.578825D+01 -0.822520D-01
      4   0.212547D+02  0.385146D+01  0.114081D+02 -0.807219D+01 -0.739332D+00
      5   0.316413D+01  0.459806D+01  0.116123D+01 -0.568982D+00 -0.168486D+01
      6  -0.305144D+01 -0.510657D+01 -0.121176D+01  0.546612D+00  0.176547D+01
               151           152           153           154           155 
      1   0.102829D+01  0.130281D+00  0.730444D+00  0.331478D+02  0.149355D+02
      2   0.115775D+00 -0.755884D+00 -0.881633D+00 -0.169751D+02 -0.744443D+01
      3  -0.114407D+01  0.625603D+00  0.151189D+00 -0.161727D+02 -0.749110D+01
      4  -0.851903D+00  0.544855D+00 -0.384621D+01  0.157719D+02  0.144963D+02
      5   0.499436D+01 -0.232986D+01 -0.131934D+01 -0.604311D+01 -0.349384D+01
      6  -0.354874D+01  0.346552D+01  0.199439D+01 -0.118749D+01 -0.791672D+00
               156           157           158           159           160 
      1  -0.506200D+01  0.277096D+02  0.143341D+02 -0.423088D+01 -0.903969D+01
      2   0.238299D+01 -0.141449D+02 -0.521373D+01  0.214606D+01  0.546966D+01
      3   0.267901D+01 -0.135647D+02 -0.912037D+01  0.208482D+01  0.357003D+01
      4  -0.297823D+01  0.194731D+02  0.201075D+02 -0.502954D+01 -0.506021D+01
      5   0.680989D+01 -0.574164D+01 -0.557163D+01  0.582602D+01  0.928046D+01
      6   0.908991D+00 -0.189678D+01 -0.155635D+01  0.143453D+01  0.186768D+01
               161           162           163           164           165 
      1  -0.468387D+01  0.541111D+01 -0.217666D+01  0.835380D+01  0.329608D+00
      2   0.272714D+01 -0.416440D+01  0.371849D+01 -0.122251D+02 -0.147262D+01
      3   0.195673D+01 -0.124670D+01 -0.154183D+01  0.387129D+01  0.114301D+01
      4  -0.606328D+01  0.409866D+01 -0.143224D+01  0.689607D+00  0.111581D+01
      5   0.468393D+01 -0.354318D+01  0.578995D+00 -0.107827D+01 -0.874164D+00
      6   0.256889D+01 -0.139261D+01  0.139427D+01  0.250304D+00 -0.126915D+01
               166           167           168           169           170 
      1   0.350169D+01 -0.281486D+02 -0.231492D+01  0.787706D+00 -0.688350D+01
      2  -0.250002D+01  0.492013D+02  0.578309D+01 -0.610323D+00  0.117557D+02
      3  -0.100167D+01 -0.210526D+02 -0.346816D+01 -0.177383D+00 -0.487215D+01
      4   0.622209D+01  0.135603D+02  0.100941D+01  0.198746D+01  0.407886D+01
      5  -0.114755D+01  0.326982D+01  0.277060D+01  0.818132D+00  0.247087D+01
      6  -0.750814D+00  0.115574D+01  0.636585D+01 -0.565686D+00  0.711943D+01
               171           172           173           174           175 
      1  -0.479173D+01  0.300381D+02  0.929075D+01  0.326899D+01  0.122781D+02
      2   0.517865D+01 -0.182560D+02 -0.754245D+01 -0.541390D+01 -0.971285D+01
      3  -0.386917D+00 -0.117821D+02 -0.174829D+01  0.214492D+01 -0.256521D+01
      4   0.126889D+01 -0.381388D+01  0.135417D+02 -0.673639D+01  0.123925D+02
      5   0.615127D+00  0.159318D+02 -0.410357D+01  0.186191D+02 -0.186071D+01
      6   0.168917D+01 -0.430090D+00  0.801156D+01 -0.689765D+01  0.570113D+01
               176           177           178           179           180 
      1   0.136877D+02 -0.485103D+01  0.647625D+01 -0.732866D+01  0.836917D+01
      2  -0.614198D+01  0.203537D+01 -0.709075D+01  0.249815D+01 -0.179314D+02
      3  -0.754576D+01  0.281566D+01  0.614500D+00  0.483050D+01  0.956221D+01
      4   0.278014D+01  0.284930D+01 -0.710822D+01  0.915401D+00 -0.871368D+01
      5   0.413146D+01  0.420624D+01  0.291644D+02 -0.792500D+01  0.265341D+02
      6   0.376309D+01  0.749745D+00 -0.903211D+01  0.951230D+01 -0.273844D+01
               181           182           183           184           185 
      1   0.322660D+02  0.160029D+02 -0.705171D+01  0.255883D+02  0.138026D+02
      2  -0.174092D+02 -0.857137D+01  0.407409D+01 -0.143706D+02 -0.528712D+01
      3  -0.148568D+02 -0.743150D+01  0.297761D+01 -0.112177D+02 -0.851550D+01
      4   0.146394D+02  0.133854D+02 -0.273485D+01  0.164396D+02  0.205161D+02
      5  -0.107160D+02 -0.469593D+01  0.930544D+01 -0.738305D+01 -0.102602D+02
      6  -0.132941D+01 -0.257459D+01  0.148351D+00 -0.310635D+01 -0.241852D+01
               186           187           188           189           190 
      1  -0.443989D+01 -0.797268D+01 -0.210582D+01  0.647624D+01  0.128098D+02
      2   0.354512D+01  0.566475D+01  0.237490D+01 -0.554371D+01 -0.457640D+01
      3   0.894769D+00  0.230793D+01 -0.269076D+00 -0.932539D+00 -0.823342D+01
      4  -0.838364D+01 -0.250902D+01 -0.641546D+01  0.460729D+01 -0.131129D+02
      5   0.820220D+01  0.124779D+02  0.615886D+01 -0.633959D+01 -0.126557D+02
      6   0.253622D+01  0.890674D+00  0.384227D+01 -0.198347D+01  0.571846D+01
               191           192           193           194           195 
      1  -0.770085D+01 -0.829929D+01 -0.112528D+02  0.404247D+01  0.123877D+00
      2   0.189520D+01  0.411885D+01  0.158133D+01  0.843354D+01  0.310299D+01
      3   0.580565D+01  0.418044D+01  0.967150D+01 -0.124760D+02 -0.322687D+01
      4   0.137753D+02  0.717950D+01  0.239589D+02 -0.323660D+02 -0.181366D+02
      5   0.671911D+01  0.103436D+02  0.122498D+02 -0.193021D+02 -0.207273D+02
      6  -0.415056D+01 -0.400847D+01 -0.830238D+01  0.158108D+02  0.144707D+02
               196           197           198           199           200 
      1  -0.912739D+01  0.129092D+00  0.178297D+01 -0.120540D+01  0.103414D+02
      2   0.535135D+01  0.124865D+01 -0.287006D+01  0.342103D+01 -0.142707D+02
      3   0.377603D+01 -0.137774D+01  0.108708D+01 -0.221563D+01  0.392924D+01
      4   0.107595D+02 -0.152164D+02 -0.162388D+02  0.147165D+01  0.331351D+01
      5   0.167823D+02 -0.170558D+02 -0.232103D+02  0.906290D+00 -0.228904D+00
      6  -0.739929D+01  0.129410D+02  0.141012D+02  0.209609D+01 -0.383060D+01
               201           202           203           204           205 
      1   0.251970D+01  0.316447D+01 -0.345358D+02 -0.767806D+01  0.172470D+01
      2  -0.330805D+01 -0.877470D+00  0.603696D+02  0.125803D+02 -0.905371D+00
      3   0.788348D+00 -0.228700D+01 -0.258338D+02 -0.490227D+01 -0.819328D+00
      4   0.132978D+01  0.711456D+01  0.215561D+02  0.359975D+01  0.319372D+01
      5   0.286635D+00  0.511878D-02  0.642096D+01  0.419646D+01  0.126631D+01
      6  -0.227839D+01 -0.296934D+00  0.160775D+02  0.101989D+02 -0.603276D-01
               206           207           208           209           210 
      1  -0.154130D+02 -0.840594D+01 -0.129565D+02 -0.105394D+02  0.746577D+01
      2   0.239320D+02  0.105775D+02  0.830081D+01  0.679094D+01 -0.232839D+01
      3  -0.851891D+01 -0.217159D+01  0.465569D+01  0.374847D+01 -0.513738D+01
      4   0.907075D+01  0.371384D+01  0.171090D+00 -0.529889D+01  0.300310D+01
      5   0.579451D+01  0.264558D+01 -0.148159D+01  0.154139D+01 -0.629209D+01
      6   0.154924D+02  0.761579D+01 -0.299129D+01 -0.628320D+01  0.641321D+01
               211           212           213           214           215 
      1  -0.136572D+02 -0.148389D+02  0.774818D+01  0.629731D+01  0.654295D+01
      2   0.835621D+01  0.132929D+02 -0.547674D+01 -0.291773D+01 -0.358354D+01
      3   0.530103D+01  0.154604D+01 -0.227143D+01 -0.337958D+01 -0.295941D+01
      4   0.102568D+01 -0.116637D+02  0.686435D+01  0.421594D+00  0.518723D+01
      5  -0.164341D+01  0.541716D+01 -0.819710D+01  0.154398D+01 -0.331144D+01
      6  -0.302377D+01 -0.108285D+02  0.890020D+01  0.229346D+01  0.696830D+01
               216 
      1  -0.785738D+01
      2   0.161350D+01
      3   0.624389D+01
      4  -0.300570D+01
      5   0.745452D+01
      6  -0.680203D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Mon Sep 27 11:44:32 2021, MaxMem=  6442450944 cpu:           14048.6 elap:            1759.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.18123 -19.17425 -19.16860 -19.16044 -19.15302
 Alpha  occ. eigenvalues --  -19.14399 -10.31039 -10.25528 -10.25520 -10.25205
 Alpha  occ. eigenvalues --  -10.24702 -10.23699  -1.09391  -1.04938  -1.04084
 Alpha  occ. eigenvalues --   -1.02676  -1.01597  -1.01106  -0.79678  -0.78215
 Alpha  occ. eigenvalues --   -0.70030  -0.65935  -0.63269  -0.60218  -0.58570
 Alpha  occ. eigenvalues --   -0.55250  -0.54016  -0.53138  -0.50644  -0.50424
 Alpha  occ. eigenvalues --   -0.48509  -0.47690  -0.45117  -0.43661  -0.42621
 Alpha  occ. eigenvalues --   -0.42039  -0.39870  -0.39404  -0.37652  -0.36417
 Alpha  occ. eigenvalues --   -0.35172  -0.34264  -0.33480  -0.31888  -0.30346
 Alpha  occ. eigenvalues --   -0.29289  -0.28705  -0.28243
 Alpha virt. eigenvalues --   -0.00776   0.00465   0.01751   0.02148   0.03552
 Alpha virt. eigenvalues --    0.04434   0.05173   0.06202   0.07167   0.07981
 Alpha virt. eigenvalues --    0.09034   0.10010   0.10067   0.10469   0.10903
 Alpha virt. eigenvalues --    0.11712   0.12055   0.12532   0.13124   0.14645
 Alpha virt. eigenvalues --    0.14899   0.15182   0.15211   0.15388   0.16238
 Alpha virt. eigenvalues --    0.16661   0.17295   0.17593   0.18596   0.18957
 Alpha virt. eigenvalues --    0.20363   0.20573   0.21075   0.21858   0.22994
 Alpha virt. eigenvalues --    0.23190   0.24279   0.24541   0.24719   0.25152
 Alpha virt. eigenvalues --    0.25695   0.26640   0.26915   0.27139   0.28097
 Alpha virt. eigenvalues --    0.28274   0.28560   0.28988   0.29448   0.30057
 Alpha virt. eigenvalues --    0.30897   0.31443   0.31744   0.32459   0.32551
 Alpha virt. eigenvalues --    0.32967   0.33627   0.34383   0.34960   0.35628
 Alpha virt. eigenvalues --    0.35967   0.36106   0.36547   0.37627   0.37818
 Alpha virt. eigenvalues --    0.38274   0.38834   0.39462   0.39694   0.40036
 Alpha virt. eigenvalues --    0.41116   0.41659   0.42563   0.42781   0.43291
 Alpha virt. eigenvalues --    0.44295   0.44706   0.44929   0.45773   0.46753
 Alpha virt. eigenvalues --    0.47082   0.47300   0.48255   0.48619   0.49825
 Alpha virt. eigenvalues --    0.50072   0.50282   0.51333   0.52062   0.52840
 Alpha virt. eigenvalues --    0.52971   0.53024   0.53326   0.54437   0.54512
 Alpha virt. eigenvalues --    0.54875   0.55440   0.55846   0.57001   0.57052
 Alpha virt. eigenvalues --    0.57153   0.58020   0.58244   0.59293   0.60086
 Alpha virt. eigenvalues --    0.60925   0.61003   0.61300   0.62079   0.62781
 Alpha virt. eigenvalues --    0.63283   0.63746   0.64286   0.65082   0.66071
 Alpha virt. eigenvalues --    0.66156   0.66672   0.67929   0.69084   0.69676
 Alpha virt. eigenvalues --    0.70591   0.71337   0.71609   0.73122   0.73949
 Alpha virt. eigenvalues --    0.74328   0.74836   0.75712   0.76657   0.76896
 Alpha virt. eigenvalues --    0.78005   0.78271   0.79392   0.80424   0.80787
 Alpha virt. eigenvalues --    0.81328   0.82299   0.82502   0.83322   0.84772
 Alpha virt. eigenvalues --    0.86032   0.86764   0.87086   0.87700   0.88618
 Alpha virt. eigenvalues --    0.90556   0.92291   0.92954   0.94528   0.96304
 Alpha virt. eigenvalues --    0.98664   0.99579   0.99848   1.02743   1.03508
 Alpha virt. eigenvalues --    1.03758   1.05298   1.06906   1.07868   1.09105
 Alpha virt. eigenvalues --    1.09866   1.11043   1.13363   1.14285   1.15848
 Alpha virt. eigenvalues --    1.16935   1.17631   1.19469   1.20176   1.21499
 Alpha virt. eigenvalues --    1.26080   1.27269   1.28929   1.29912   1.32366
 Alpha virt. eigenvalues --    1.33416   1.34928   1.37445   1.38437   1.40148
 Alpha virt. eigenvalues --    1.41227   1.44960   1.48161   1.49441   1.51481
 Alpha virt. eigenvalues --    1.52479   1.54295   1.55802   1.56323   1.58188
 Alpha virt. eigenvalues --    1.58912   1.59581   1.61497   1.63202   1.63891
 Alpha virt. eigenvalues --    1.65785   1.66923   1.69151   1.72184   1.73879
 Alpha virt. eigenvalues --    1.75285   1.76612   1.77714   1.78892   1.83107
 Alpha virt. eigenvalues --    1.84339   1.85135   1.85739   1.86637   1.88734
 Alpha virt. eigenvalues --    1.90668   1.92347   1.93966   1.94502   1.95606
 Alpha virt. eigenvalues --    1.97228   1.97908   1.98565   1.99611   2.00950
 Alpha virt. eigenvalues --    2.01788   2.01961   2.04761   2.04984   2.05455
 Alpha virt. eigenvalues --    2.06777   2.08846   2.10686   2.11302   2.12276
 Alpha virt. eigenvalues --    2.12452   2.14182   2.17095   2.18156   2.19772
 Alpha virt. eigenvalues --    2.19968   2.21702   2.22596   2.23089   2.24857
 Alpha virt. eigenvalues --    2.26567   2.27457   2.28001   2.30408   2.31441
 Alpha virt. eigenvalues --    2.31806   2.33207   2.34507   2.35216   2.35584
 Alpha virt. eigenvalues --    2.37132   2.38502   2.39409   2.42184   2.42981
 Alpha virt. eigenvalues --    2.44538   2.46871   2.49286   2.51262   2.55581
 Alpha virt. eigenvalues --    2.56435   2.58933   2.59505   2.64558   2.66721
 Alpha virt. eigenvalues --    2.69776   2.71904   2.80556   2.88179   2.91023
 Alpha virt. eigenvalues --    2.93026   2.98135   2.99867   3.02462   3.02717
 Alpha virt. eigenvalues --    3.03539   3.04991   3.07003   3.07403   3.08531
 Alpha virt. eigenvalues --    3.08788   3.09522   3.10488   3.13171   3.14153
 Alpha virt. eigenvalues --    3.17471   3.18460   3.19518   3.21048   3.22022
 Alpha virt. eigenvalues --    3.24741   3.26197   3.29841   3.30785   3.48238
 Alpha virt. eigenvalues --    3.52806   3.54501   3.58761   3.60079   3.68174
 Alpha virt. eigenvalues --    3.78538   3.92610   3.95727   3.97182   3.97707
 Alpha virt. eigenvalues --    4.00119
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    6.646781  -0.279176  -0.513672  -0.232425   0.032712  -0.109426
     2  C   -0.279176   6.147661  -0.159503   0.015014  -0.033286  -0.339814
     3  C   -0.513672  -0.159503   6.574942   0.052913  -0.060732  -0.041401
     4  C   -0.232425   0.015014   0.052913   6.077396  -0.536996   0.175890
     5  O    0.032712  -0.033286  -0.060732  -0.536996  10.135149  -0.683421
     6  C   -0.109426  -0.339814  -0.041401   0.175890  -0.683421   5.951129
     7  O   -0.043900  -0.088753  -0.166679   0.044660   0.021675   0.018875
     8  H    0.402925  -0.007542   0.014187  -0.098139   0.038314  -0.048976
     9  O   -0.134859   0.033567   0.000167  -0.001151   0.050788  -0.087458
    10  H    0.132744   0.352026  -0.094506  -0.013122  -0.105202   0.122870
    11  H   -0.034674  -0.011709   0.249584   0.008283  -0.157007   0.020519
    12  O   -0.061327   0.015892  -0.216161  -0.097971   0.052131  -0.006670
    13  C    0.050866  -0.013718  -0.168292   0.235370  -0.013216   0.014276
    14  H   -0.110719   0.039316   0.190669   0.296325  -0.212804   0.023829
    15  O    0.060912  -0.119948  -0.004832  -0.095958   0.056807  -0.211118
    16  H   -0.088295   0.181693  -0.009538   0.070825  -0.077326   0.393373
    17  H    0.054695  -0.040806   0.072792   0.002974  -0.004487   0.008201
    18  H    0.041601   0.042497   0.005049   0.002484   0.008506  -0.026776
    19  H   -0.035805   0.007514   0.149218   0.024747   0.002658  -0.000876
    20  O    0.000256  -0.000548  -0.140821   0.008866  -0.054802  -0.008841
    21  H    0.020555  -0.001967  -0.087331   0.041365   0.058871  -0.004898
    22  H   -0.003556  -0.000366   0.072444   0.124052  -0.030633   0.011660
    23  H   -0.002184   0.052787   0.000510   0.008326  -0.000162   0.066080
    24  H    0.004594  -0.000452  -0.018278  -0.014384   0.069888  -0.001581
               7          8          9         10         11         12
     1  C   -0.043900   0.402925  -0.134859   0.132744  -0.034674  -0.061327
     2  C   -0.088753  -0.007542   0.033567   0.352026  -0.011709   0.015892
     3  C   -0.166679   0.014187   0.000167  -0.094506   0.249584  -0.216161
     4  C    0.044660  -0.098139  -0.001151  -0.013122   0.008283  -0.097971
     5  O    0.021675   0.038314   0.050788  -0.105202  -0.157007   0.052131
     6  C    0.018875  -0.048976  -0.087458   0.122870   0.020519  -0.006670
     7  O    8.323994  -0.063865   0.048214  -0.071206  -0.108419   0.067066
     8  H   -0.063865   0.952353  -0.059250   0.025525   0.038827  -0.061092
     9  O    0.048214  -0.059250   8.245594  -0.044339  -0.007034   0.009301
    10  H   -0.071206   0.025525  -0.044339   1.019782  -0.035246  -0.001664
    11  H   -0.108419   0.038827  -0.007034  -0.035246   1.397351  -0.072404
    12  O    0.067066  -0.061092   0.009301  -0.001664  -0.072404   8.434861
    13  C    0.007100   0.005157   0.000668   0.006408  -0.072085   0.026805
    14  H    0.008618  -0.046624  -0.002541  -0.004868   0.056609  -0.047890
    15  O    0.003521   0.010053   0.035556  -0.081876  -0.002278   0.001258
    16  H    0.003236  -0.041355  -0.058884   0.017918  -0.004307  -0.001827
    17  H    0.177719   0.002554   0.006317  -0.006116   0.007622  -0.002238
    18  H    0.000975   0.005022   0.189152  -0.016900  -0.000131  -0.000520
    19  H    0.006645   0.000134   0.001023   0.000400  -0.033406   0.123250
    20  O    0.004937   0.002680   0.000919   0.003044   0.009671   0.026681
    21  H    0.000826   0.002207   0.000136   0.000231  -0.005742   0.017757
    22  H   -0.000444  -0.000001  -0.000077  -0.000222   0.008552  -0.000691
    23  H    0.000027  -0.000271   0.001229   0.005113   0.000429   0.000317
    24  H   -0.000302  -0.000118   0.000129   0.001402  -0.010473  -0.003579
              13         14         15         16         17         18
     1  C    0.050866  -0.110719   0.060912  -0.088295   0.054695   0.041601
     2  C   -0.013718   0.039316  -0.119948   0.181693  -0.040806   0.042497
     3  C   -0.168292   0.190669  -0.004832  -0.009538   0.072792   0.005049
     4  C    0.235370   0.296325  -0.095958   0.070825   0.002974   0.002484
     5  O   -0.013216  -0.212804   0.056807  -0.077326  -0.004487   0.008506
     6  C    0.014276   0.023829  -0.211118   0.393373   0.008201  -0.026776
     7  O    0.007100   0.008618   0.003521   0.003236   0.177719   0.000975
     8  H    0.005157  -0.046624   0.010053  -0.041355   0.002554   0.005022
     9  O    0.000668  -0.002541   0.035556  -0.058884   0.006317   0.189152
    10  H    0.006408  -0.004868  -0.081876   0.017918  -0.006116  -0.016900
    11  H   -0.072085   0.056609  -0.002278  -0.004307   0.007622  -0.000131
    12  O    0.026805  -0.047890   0.001258  -0.001827  -0.002238  -0.000520
    13  C    4.284279  -0.153780  -0.000368   0.004951  -0.000222   0.000012
    14  H   -0.153780   1.229083  -0.022437   0.017915  -0.000150   0.000324
    15  O   -0.000368  -0.022437   8.641940  -0.126683   0.000510  -0.003548
    16  H    0.004951   0.017915  -0.126683   1.063938   0.000447   0.004689
    17  H   -0.000222  -0.000150   0.000510   0.000447   0.605509  -0.000216
    18  H    0.000012   0.000324  -0.003548   0.004689  -0.000216   0.615636
    19  H    0.001401   0.000446   0.000039   0.000105  -0.002010   0.000019
    20  O    0.144622  -0.009503   0.003493  -0.002180  -0.000273  -0.000028
    21  H    0.165672  -0.002062   0.001180  -0.000670  -0.000023  -0.000003
    22  H    0.125550   0.005803  -0.003234  -0.001260   0.000003   0.000001
    23  H   -0.001150   0.002720   0.076846  -0.013465   0.000003   0.000256
    24  H    0.047535   0.004223  -0.000955  -0.001191  -0.000002  -0.000018
              19         20         21         22         23         24
     1  C   -0.035805   0.000256   0.020555  -0.003556  -0.002184   0.004594
     2  C    0.007514  -0.000548  -0.001967  -0.000366   0.052787  -0.000452
     3  C    0.149218  -0.140821  -0.087331   0.072444   0.000510  -0.018278
     4  C    0.024747   0.008866   0.041365   0.124052   0.008326  -0.014384
     5  O    0.002658  -0.054802   0.058871  -0.030633  -0.000162   0.069888
     6  C   -0.000876  -0.008841  -0.004898   0.011660   0.066080  -0.001581
     7  O    0.006645   0.004937   0.000826  -0.000444   0.000027  -0.000302
     8  H    0.000134   0.002680   0.002207  -0.000001  -0.000271  -0.000118
     9  O    0.001023   0.000919   0.000136  -0.000077   0.001229   0.000129
    10  H    0.000400   0.003044   0.000231  -0.000222   0.005113   0.001402
    11  H   -0.033406   0.009671  -0.005742   0.008552   0.000429  -0.010473
    12  O    0.123250   0.026681   0.017757  -0.000691   0.000317  -0.003579
    13  C    0.001401   0.144622   0.165672   0.125550  -0.001150   0.047535
    14  H    0.000446  -0.009503  -0.002062   0.005803   0.002720   0.004223
    15  O    0.000039   0.003493   0.001180  -0.003234   0.076846  -0.000955
    16  H    0.000105  -0.002180  -0.000670  -0.001260  -0.013465  -0.001191
    17  H   -0.002010  -0.000273  -0.000023   0.000003   0.000003  -0.000002
    18  H    0.000019  -0.000028  -0.000003   0.000001   0.000256  -0.000018
    19  H    0.650106  -0.002305  -0.002428  -0.000346  -0.000009   0.000263
    20  O   -0.002305   8.287620   0.002366   0.012979  -0.000684   0.187900
    21  H   -0.002428   0.002366   1.100229  -0.099036   0.000018   0.003361
    22  H   -0.000346   0.012979  -0.099036   0.967458   0.000393  -0.028317
    23  H   -0.000009  -0.000684   0.000018   0.000393   0.680098   0.000249
    24  H    0.000263   0.187900   0.003361  -0.028317   0.000249   0.549922
 Mulliken charges:
               1
     1  C    0.201377
     2  C    0.209620
     3  C    0.299272
     4  C   -0.099342
     5  O   -0.557422
     6  C    0.764554
     7  O   -0.194517
     8  H   -0.072705
     9  O   -0.227170
    10  H   -0.212194
    11  H   -0.242531
    12  O   -0.201284
    13  C    1.302158
    14  H   -0.262502
    15  O   -0.218880
    16  H   -0.332107
    17  H    0.117197
    18  H    0.131920
    19  H    0.109217
    20  O   -0.476045
    21  H   -0.210613
    22  H   -0.160711
    23  H    0.122523
    24  H    0.210186
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.128673
     2  C   -0.002574
     3  C    0.056741
     4  C   -0.361844
     5  O   -0.557422
     6  C    0.432447
     7  O   -0.077320
     9  O   -0.095250
    12  O   -0.092068
    13  C    0.930834
    15  O   -0.096356
    20  O   -0.265860
 Electronic spatial extent (au):  <R**2>=           2114.7953
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -2.3783    Y=             -1.9402    Z=             -1.7074  Tot=              3.5122
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -77.8151   YY=            -67.3437   ZZ=            -72.6827
   XY=              0.4187   XZ=             -3.6492   YZ=              3.2730
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -5.2013   YY=              5.2702   ZZ=             -0.0689
   XY=              0.4187   XZ=             -3.6492   YZ=              3.2730
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=            -40.4175  YYY=            -16.9733  ZZZ=              2.5977  XYY=            -10.0585
  XXY=             -2.9843  XXZ=             -6.6569  XZZ=             -6.7758  YZZ=             -7.9982
  YYZ=             -6.2497  XYZ=              0.7770
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -1464.4317 YYYY=           -796.0630 ZZZZ=           -212.9440 XXXY=             23.1087
 XXXZ=            -82.9213 YYYX=             18.5626 YYYZ=             23.4097 ZZZX=              2.9083
 ZZZY=             -3.5261 XXYY=           -373.5977 XXZZ=           -293.4755 YYZZ=           -196.2838
 XXYZ=             16.5128 YYXZ=             26.6989 ZZXY=             -2.1835
 N-N= 8.322132010642D+02 E-N=-3.273140686100D+03  KE= 6.804473619085D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Mon Sep 27 11:44:33 2021, MaxMem=  6442450944 cpu:               2.4 elap:               0.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        =-9.50149552D-01-7.53181633D-01-6.16387396D-01
 Polarizability= 1.02930924D+02 1.59990274D+00 9.62713087D+01
                -2.38552572D+00 4.73169925D-01 7.96383503D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 2     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 3      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 4      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 5      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 6     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.8998    0.8992        0.5998    0.6002
 2     -0.8998   -0.8992       -0.0700   -0.0701       -3.3801   -3.3797
 3     -0.5998   -0.6002       11.9075   11.9065        0.0702    0.0701
 4      0.0700    0.0701        0.0000    0.0000       -0.5994   -0.6002
 5     -8.5274   -8.5268        0.5994    0.6002        0.8987    0.8992
 6     -0.0702   -0.0701       -0.8987   -0.8992        0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -2.6976   -2.6976        1.8006    1.8006
 2      0.2103    0.2103        0.0000    0.0000        1.8006    1.8006
 3      0.2103    0.2103       -2.6976   -2.6976       -0.0000    0.0000
 4     -2.6976   -2.6976       -0.2103   -0.2103      -10.1392  -10.1392
 5     -1.8006   -1.8006       35.7196   35.7196        0.2103    0.2103
 6    -25.5804  -25.5804        1.8006    1.8006        2.6976    2.6976
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0298    0.0000       -3.5432   -3.5968       -2.3274   -2.4007
 2      3.5784    3.5968        0.3026    0.2804       13.4504   13.5190
 3      2.3647    2.4007      -47.6079  -47.6262       -0.2833   -0.2804
 4     -0.2791   -0.2804       -0.0062    0.0000        2.4282    2.4007
 5     34.1116   34.1072       -2.3945   -2.4007       -3.5710   -3.5968
 6      0.3140    0.2804        3.7026    3.5968       -0.0036    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0279    0.0000        1.3203    1.3641       -3.4943   -3.4460
 2     -1.3648   -1.3641        6.8050    6.9441       11.1290   11.0214
 3      3.4036    3.4460       -0.1803   -0.1944       -6.9057   -6.9441
 4     -6.9605   -6.9441        0.0349    0.0000        3.4486    3.4460
 5    -10.9034  -10.8270       -3.5015   -3.4460        1.3857    1.3641
 6      6.9748    6.9441       -1.3699   -1.3641        0.0243    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1    -25.4588  -25.4721        9.0027    9.0281        2.1029    2.1004
 2    -39.3878  -39.3743       15.4016   15.4024        2.0857    2.1004
 3    -39.4066  -39.3743        9.0317    9.0281        3.5442    3.5272
 4     -6.3354   -6.3743       13.7735   13.9022        8.3619    8.2470
 5      1.4078    1.4268        2.4323    2.4113      -13.8731  -13.9022
 6    -10.7184  -10.6583       -1.4715   -1.4268        6.3650    6.3743
 Full mass-weighted force constant matrix:
 Low frequencies ---   -4.2536    0.0009    0.0011    0.0011    1.5940    6.0913
 Low frequencies ---   71.0075   91.9562  118.6735
 Diagonal vibrational polarizability:
       79.5016150      49.8743605      62.4433998
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   19436.35
                      1                      2                      3
                      A                      A                      A
 Frequencies --     71.0072                91.9561               118.6734
 Red. masses --      6.1497                 5.4982                 6.6892
 Frc consts  --      0.0183                 0.0274                 0.0555
 IR Inten    --      1.0587                 2.4853                 2.4488
 RamAct Fr= 1--      0.0551                 0.2122                 0.0394
  Dep-P Fr= 1--      0.6561                 0.7453                 0.7363
  Dep-U Fr= 1--      0.7924                 0.8541                 0.8481
 Alpha2 Fr= 1--      0.0001                 0.0000                 0.0000
 Beta2  Fr= 1--      0.0073                 0.0302                 0.0056
 AlphaG Fr= 1--     -0.0000                -0.0000                -0.0000
 Gamma2 Fr= 1--     -0.0063                 0.0838                 0.0519
 Delta2 Fr= 1--     -0.0056                -0.0127                 0.0294
 Raman1 Fr= 1--       0.220                  0.849                  0.158
 ROA1   Fr= 1--      -0.781                  7.639                  5.928
 CID1   Fr= 1--      -3.542                  8.999                 37.625
 Raman2 Fr= 1--       0.087                  0.362                  0.067
 ROA2   Fr= 1--      -0.105                  2.112                  1.011
 CID2   Fr= 1--      -1.202                  5.828                 15.137
 Raman3 Fr= 1--       0.175                  0.725                  0.134
 ROA3   Fr= 1--      -0.781                  7.639                  5.928
 CID3   Fr= 1--      -4.470                 10.537                 44.363
 RC180  Fr= 1--       0.585                  0.708                  0.696
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00   0.01     0.01  -0.01   0.07    -0.01   0.04   0.09
     2   6     0.07  -0.02   0.07    -0.04  -0.02  -0.02    -0.04   0.01  -0.05
     3   6     0.02   0.03  -0.11     0.02  -0.05  -0.02     0.01   0.08  -0.06
     4   6     0.05   0.00  -0.04    -0.03  -0.09   0.03     0.01   0.04   0.01
     5   8     0.01  -0.00  -0.11    -0.05  -0.04   0.11     0.04   0.06   0.09
     6   6     0.01   0.04  -0.08    -0.02  -0.00  -0.02     0.05  -0.01   0.05
     7   8     0.05  -0.01   0.05     0.09  -0.06   0.21     0.04  -0.06   0.30
     8   1    -0.10  -0.01   0.03    -0.04   0.10   0.10    -0.08   0.20   0.12
     9   8     0.03  -0.02   0.28    -0.02   0.04  -0.10     0.01  -0.00  -0.29
    10   1     0.23  -0.08   0.04    -0.11  -0.06  -0.01    -0.21   0.01  -0.03
    11   1     0.10   0.14  -0.12     0.08   0.00  -0.03     0.14   0.19  -0.08
    12   8    -0.04  -0.00  -0.27     0.01  -0.10  -0.12    -0.10   0.05  -0.27
    13   6     0.01  -0.00   0.17    -0.01  -0.05  -0.02     0.01   0.03   0.03
    14   1     0.18  -0.01  -0.05    -0.07  -0.16   0.03    -0.00  -0.02   0.01
    15   8     0.01  -0.01  -0.19    -0.12  -0.01  -0.15     0.09   0.00   0.12
    16   1    -0.01   0.16  -0.07     0.10   0.06  -0.03     0.07  -0.09   0.04
    17   1     0.03  -0.05   0.17     0.10   0.04   0.19     0.05   0.06   0.23
    18   1     0.10  -0.08   0.25    -0.06   0.03  -0.18    -0.05   0.04  -0.28
    19   1     0.03   0.02  -0.24     0.12  -0.07  -0.06     0.01   0.07  -0.20
    20   8    -0.21   0.01   0.20     0.14   0.34   0.02    -0.09  -0.22  -0.00
    21   1     0.05  -0.01   0.25    -0.02  -0.14  -0.32     0.01   0.09   0.21
    22   1     0.09  -0.01   0.23    -0.10  -0.22   0.19     0.06   0.14  -0.11
    23   1    -0.02   0.04  -0.28    -0.08   0.01  -0.15     0.14  -0.02   0.19
    24   1    -0.27   0.02   0.11     0.28   0.32   0.28    -0.21  -0.17  -0.15
                      4                      5                      6
                      A                      A                      A
 Frequencies --    140.5943               231.3316               241.7153
 Red. masses --      6.3874                 2.9487                 2.9404
 Frc consts  --      0.0744                 0.0930                 0.1012
 IR Inten    --      0.7573                19.8499                 5.8194
 RamAct Fr= 1--      0.0541                 0.2779                 0.3997
  Dep-P Fr= 1--      0.6740                 0.4981                 0.7312
  Dep-U Fr= 1--      0.8053                 0.6649                 0.8447
 Alpha2 Fr= 1--      0.0001                 0.0014                 0.0001
 Beta2  Fr= 1--      0.0073                 0.0308                 0.0563
 AlphaG Fr= 1--     -0.0000                -0.0042                 0.0010
 Gamma2 Fr= 1--     -0.0011                 0.0343                -0.0471
 Delta2 Fr= 1--     -0.0166                 0.0562                -0.0589
 Raman1 Fr= 1--       0.216                  1.112                  1.599
 ROA1   Fr= 1--      -0.635                  5.097                 -6.410
 CID1   Fr= 1--      -2.935                  4.584                 -4.009
 Raman2 Fr= 1--       0.087                  0.370                  0.675
 ROA2   Fr= 1--       0.106                  0.374                 -0.660
 CID2   Fr= 1--       1.220                  1.013                 -0.978
 Raman3 Fr= 1--       0.174                  0.739                  1.350
 ROA3   Fr= 1--      -0.635                  5.097                 -6.410
 CID3   Fr= 1--      -3.645                  6.894                 -4.746
 RC180  Fr= 1--       0.611                  0.330                  0.689
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03  -0.00   0.02    -0.02   0.01   0.01    -0.03   0.08  -0.04
     2   6    -0.02   0.00   0.07    -0.03   0.01   0.05     0.06   0.03  -0.06
     3   6    -0.01   0.07   0.05    -0.03  -0.04  -0.02    -0.02   0.02  -0.01
     4   6     0.00   0.00   0.17    -0.01  -0.02  -0.03    -0.02  -0.00   0.02
     5   8     0.00   0.05   0.28     0.02  -0.02   0.04     0.02  -0.05  -0.02
     6   6     0.04   0.05   0.03     0.03   0.03   0.04     0.02   0.01  -0.02
     7   8    -0.10   0.06  -0.13     0.22   0.12  -0.01    -0.12  -0.01   0.05
     8   1     0.01  -0.11  -0.00    -0.07   0.00   0.02    -0.02   0.13  -0.03
     9   8    -0.02  -0.02   0.08    -0.04  -0.20  -0.02     0.02  -0.14   0.02
    10   1    -0.01  -0.00   0.07    -0.04   0.05   0.05     0.12   0.05  -0.06
    11   1     0.01   0.22   0.05    -0.04  -0.09  -0.02    -0.06   0.04  -0.00
    12   8    -0.08   0.02  -0.13    -0.06   0.01   0.05     0.15  -0.10  -0.04
    13   6     0.04  -0.00   0.01    -0.00   0.05  -0.02     0.01   0.11   0.02
    14   1    -0.07  -0.08   0.17    -0.04  -0.06  -0.03    -0.01   0.00   0.02
    15   8    -0.08  -0.00  -0.26    -0.03   0.03  -0.02    -0.12   0.12   0.06
    16   1     0.27   0.20   0.01     0.04   0.08   0.05     0.03  -0.04  -0.03
    17   1    -0.10  -0.00  -0.16     0.27   0.54  -0.23    -0.14  -0.18   0.18
    18   1     0.01  -0.08  -0.05     0.15  -0.42  -0.29     0.20  -0.30  -0.11
    19   1    -0.13   0.05  -0.26    -0.21  -0.04  -0.01     0.44  -0.02   0.09
    20   8     0.23  -0.22  -0.06    -0.06   0.01  -0.02     0.02  -0.01  -0.01
    21   1    -0.01   0.05   0.05    -0.04   0.09   0.04    -0.10   0.22   0.12
    22   1    -0.00   0.10  -0.16     0.07   0.08  -0.04     0.13   0.22  -0.07
    23   1    -0.01   0.07  -0.34    -0.16   0.06  -0.13    -0.45   0.08  -0.05
    24   1     0.24  -0.22  -0.06    -0.08   0.01  -0.06     0.11  -0.13  -0.09
                      7                      8                      9
                      A                      A                      A
 Frequencies --    253.1725               267.2265               285.6060
 Red. masses --      3.9731                 2.4207                 1.8791
 Frc consts  --      0.1500                 0.1018                 0.0903
 IR Inten    --      2.6964                 4.1559                68.1916
 RamAct Fr= 1--      0.6994                 0.1960                 0.7693
  Dep-P Fr= 1--      0.2393                 0.3327                 0.4574
  Dep-U Fr= 1--      0.3862                 0.4993                 0.6277
 Alpha2 Fr= 1--      0.0085                 0.0018                 0.0046
 Beta2  Fr= 1--      0.0450                 0.0163                 0.0805
 AlphaG Fr= 1--     -0.0014                 0.0034                 0.0130
 Gamma2 Fr= 1--     -0.0967                 0.0332                -0.2020
 Delta2 Fr= 1--      0.0101                 0.0575                 0.0267
 Raman1 Fr= 1--       2.798                  0.784                  3.077
 ROA1   Fr= 1--      -8.962                  5.029                -18.539
 CID1   Fr= 1--      -3.204                  6.415                 -6.025
 Raman2 Fr= 1--       0.540                  0.196                  0.966
 ROA2   Fr= 1--      -2.402                  0.337                 -5.061
 CID2   Fr= 1--      -4.447                  1.722                 -5.241
 Raman3 Fr= 1--       1.080                  0.391                  1.931
 ROA3   Fr= 1--      -8.962                  5.029                -18.539
 CID3   Fr= 1--      -8.296                 12.849                 -9.599
 RC180  Fr= 1--      -0.228                 -0.001                  0.255
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.04   0.02     0.02  -0.04   0.02    -0.06   0.04  -0.05
     2   6    -0.03   0.00  -0.00    -0.01  -0.02   0.03    -0.07   0.02  -0.05
     3   6    -0.03  -0.03   0.02    -0.02  -0.06   0.01    -0.05  -0.01  -0.04
     4   6     0.06  -0.01   0.03    -0.04  -0.03   0.00    -0.00  -0.00   0.01
     5   8    -0.02  -0.07  -0.22     0.01  -0.05   0.04    -0.03   0.03  -0.01
     6   6    -0.07   0.00  -0.05    -0.01  -0.05   0.03    -0.03   0.02  -0.04
     7   8     0.05  -0.00   0.00     0.06  -0.01  -0.02     0.04   0.04   0.03
     8   1     0.01  -0.04   0.02     0.01  -0.07   0.01    -0.08   0.10  -0.04
     9   8    -0.02   0.04  -0.02     0.02   0.13  -0.01    -0.11  -0.03   0.05
    10   1    -0.05  -0.04  -0.01    -0.05  -0.02   0.03    -0.01   0.03  -0.06
    11   1    -0.01   0.02   0.02    -0.00  -0.07   0.01    -0.11  -0.01  -0.02
    12   8    -0.17   0.03  -0.04     0.02  -0.09  -0.00     0.05  -0.07  -0.01
    13   6     0.08   0.04   0.11     0.01   0.23   0.00     0.01   0.02   0.04
    14   1     0.23   0.11   0.03    -0.08  -0.05   0.00     0.05  -0.02   0.00
    15   8    -0.07   0.06   0.09    -0.01  -0.07  -0.03     0.06  -0.01  -0.02
    16   1    -0.21  -0.02  -0.03     0.02  -0.02   0.03    -0.01  -0.01  -0.05
    17   1     0.07   0.11  -0.07     0.06   0.03  -0.04     0.05   0.14   0.05
    18   1    -0.05   0.05  -0.03    -0.13   0.29   0.15    -0.06  -0.02   0.15
    19   1    -0.37  -0.02  -0.15    -0.01  -0.07  -0.08     0.25  -0.04   0.13
    20   8     0.23  -0.04   0.09    -0.06   0.02  -0.02     0.07  -0.03   0.02
    21   1    -0.00   0.12   0.15    -0.22   0.47   0.22    -0.03   0.05   0.06
    22   1     0.16   0.12   0.04     0.33   0.44  -0.14     0.03   0.05   0.00
    23   1    -0.33   0.03   0.00     0.01  -0.04  -0.06     0.72  -0.09   0.44
    24   1     0.48  -0.27   0.07     0.06  -0.16  -0.21     0.14  -0.09   0.03
                     10                     11                     12
                      A                      A                      A
 Frequencies --    300.0200               333.9123               367.6705
 Red. masses --      3.6516                 1.4431                 1.2650
 Frc consts  --      0.1937                 0.0948                 0.1008
 IR Inten    --     10.0981                32.2038                88.7901
 RamAct Fr= 1--      0.4192                 2.3816                 1.0967
  Dep-P Fr= 1--      0.6737                 0.3165                 0.6864
  Dep-U Fr= 1--      0.8051                 0.4808                 0.8141
 Alpha2 Fr= 1--      0.0006                 0.0232                 0.0012
 Beta2  Fr= 1--      0.0563                 0.1908                 0.1488
 AlphaG Fr= 1--     -0.0031                -0.0286                 0.0002
 Gamma2 Fr= 1--      0.1466                 0.2195                 0.0883
 Delta2 Fr= 1--      0.1327                 0.4743                -0.2532
 Raman1 Fr= 1--       1.677                  9.527                  4.387
 ROA1   Fr= 1--      18.324                 36.245                  0.379
 CID1   Fr= 1--      10.927                  3.805                  0.086
 Raman2 Fr= 1--       0.675                  2.290                  1.786
 ROA2   Fr= 1--       2.458                  1.472                  4.146
 CID2   Fr= 1--       3.641                  0.643                  2.322
 Raman3 Fr= 1--       1.350                  4.580                  3.571
 ROA3   Fr= 1--      18.324                 36.245                  0.379
 CID3   Fr= 1--      13.573                  7.914                  0.106
 RC180  Fr= 1--       0.610                 -0.038                  0.628
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.03  -0.17     0.03  -0.02   0.04    -0.00  -0.04   0.01
     2   6     0.03  -0.00  -0.15     0.05  -0.00   0.02    -0.02   0.00   0.06
     3   6    -0.02  -0.02  -0.14     0.02  -0.01   0.04     0.00  -0.03  -0.02
     4   6     0.04  -0.04  -0.05    -0.00  -0.01   0.00     0.02  -0.01  -0.03
     5   8     0.01   0.02   0.16     0.01  -0.05  -0.01     0.00   0.01  -0.00
     6   6     0.02  -0.04  -0.05     0.02   0.02  -0.01    -0.01   0.03   0.04
     7   8     0.09  -0.13   0.04    -0.03  -0.01  -0.01     0.02   0.00  -0.05
     8   1    -0.05   0.10  -0.14     0.05  -0.04   0.03    -0.02  -0.09   0.01
     9   8    -0.01   0.02   0.07     0.06   0.01   0.01    -0.01   0.04  -0.00
    10   1     0.17   0.03  -0.16     0.04  -0.04   0.01    -0.06   0.00   0.06
    11   1    -0.13  -0.11  -0.12     0.05  -0.01   0.03     0.04  -0.05  -0.03
    12   8    -0.08   0.14   0.09    -0.02  -0.01   0.00    -0.06   0.01  -0.02
    13   6     0.06   0.02   0.01    -0.00   0.01  -0.02     0.03   0.00   0.00
    14   1     0.03  -0.23  -0.06    -0.04   0.01   0.01     0.03  -0.04  -0.03
    15   8    -0.12   0.07   0.01    -0.08   0.08  -0.02    -0.00   0.01  -0.00
    16   1     0.18  -0.17  -0.08     0.04   0.04  -0.02    -0.02   0.07   0.04
    17   1     0.05  -0.26   0.40    -0.04  -0.07  -0.03    -0.04  -0.26   0.34
    18   1     0.00   0.11   0.33     0.10  -0.15  -0.35     0.03  -0.16  -0.47
    19   1    -0.28   0.02   0.16    -0.29  -0.01  -0.28     0.42  -0.02   0.58
    20   8     0.00  -0.02   0.00    -0.03   0.01  -0.01    -0.00  -0.00   0.00
    21   1     0.01   0.08   0.06    -0.02   0.03  -0.00     0.01   0.02   0.02
    22   1     0.15   0.07  -0.01     0.02   0.02  -0.02     0.07   0.02   0.00
    23   1    -0.10  -0.04   0.19     0.56  -0.07   0.54     0.07   0.02   0.02
    24   1    -0.08   0.04  -0.02    -0.05   0.02  -0.02     0.01  -0.02  -0.02
                     13                     14                     15
                      A                      A                      A
 Frequencies --    380.8914               385.3337               406.5894
 Red. masses --      1.2778                 1.5244                 1.7773
 Frc consts  --      0.1092                 0.1334                 0.1731
 IR Inten    --     69.7508               140.9349               115.4456
 RamAct Fr= 1--      1.3079                 0.8037                 2.6497
  Dep-P Fr= 1--      0.6506                 0.5745                 0.7476
  Dep-U Fr= 1--      0.7883                 0.7297                 0.8556
 Alpha2 Fr= 1--      0.0023                 0.0027                 0.0001
 Beta2  Fr= 1--      0.1718                 0.0977                 0.3778
 AlphaG Fr= 1--     -0.0008                -0.0055                 0.0001
 Gamma2 Fr= 1--     -0.1035                 0.0083                -0.3735
 Delta2 Fr= 1--      0.0447                -0.1518                -0.3388
 Raman1 Fr= 1--       5.232                  3.215                 10.599
 ROA1   Fr= 1--      -8.504                 -4.062                -46.694
 CID1   Fr= 1--      -1.626                 -1.264                 -4.406
 Raman2 Fr= 1--       2.062                  1.173                  4.534
 ROA2   Fr= 1--      -2.842                  1.413                 -6.252
 CID2   Fr= 1--      -1.378                  1.205                 -1.379
 Raman3 Fr= 1--       4.124                  2.346                  9.068
 ROA3   Fr= 1--      -8.504                 -4.062                -46.694
 CID3   Fr= 1--      -2.062                 -1.732                 -5.149
 RC180  Fr= 1--       0.577                  0.459                  0.711
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.02   0.01     0.00  -0.00   0.04     0.04   0.03  -0.00
     2   6    -0.01   0.02   0.02     0.02   0.01   0.04     0.06  -0.02  -0.03
     3   6    -0.02  -0.03   0.01    -0.00  -0.02   0.02     0.01   0.06   0.03
     4   6    -0.00  -0.01  -0.00     0.02  -0.02  -0.01    -0.07   0.02   0.04
     5   8     0.01  -0.01  -0.01     0.04  -0.04  -0.01    -0.04  -0.02   0.01
     6   6     0.02   0.03   0.02     0.03   0.03   0.02    -0.01  -0.06  -0.02
     7   8     0.02   0.07  -0.03    -0.02   0.02  -0.01     0.05   0.05  -0.02
     8   1    -0.04  -0.01   0.01     0.02  -0.03   0.04     0.06   0.04  -0.01
     9   8    -0.01  -0.03  -0.05     0.04  -0.06  -0.07     0.06  -0.03  -0.01
    10   1    -0.05   0.03   0.03    -0.03   0.01   0.04     0.08  -0.04  -0.04
    11   1    -0.03  -0.03   0.01     0.05  -0.02   0.01     0.03   0.09   0.02
    12   8     0.00  -0.04   0.02    -0.07  -0.00  -0.02    -0.01   0.08  -0.02
    13   6    -0.00  -0.01  -0.00     0.02  -0.01  -0.01    -0.09  -0.02   0.01
    14   1    -0.00   0.00  -0.00    -0.00  -0.01  -0.00    -0.09   0.03   0.04
    15   8     0.04   0.02  -0.01    -0.05   0.07  -0.03    -0.03  -0.07  -0.00
    16   1     0.00   0.07   0.02     0.03   0.09   0.02    -0.02  -0.09  -0.03
    17   1    -0.08  -0.43   0.73    -0.01   0.06  -0.14     0.03  -0.05   0.17
    18   1    -0.04   0.07   0.19    -0.09   0.33   0.74     0.06   0.01   0.09
    19   1    -0.27  -0.02  -0.34     0.25  -0.02   0.37     0.10   0.07   0.15
    20   8    -0.00   0.00   0.00    -0.01   0.00  -0.01    -0.04   0.03   0.01
    21   1     0.01  -0.02  -0.01     0.02  -0.02  -0.02    -0.07  -0.05  -0.03
    22   1    -0.02  -0.02   0.01     0.01  -0.02  -0.00    -0.13  -0.04   0.02
    23   1    -0.00   0.05  -0.08     0.14   0.02   0.14     0.09  -0.09   0.09
    24   1     0.01  -0.01   0.00    -0.10   0.08  -0.00     0.61  -0.61  -0.12
                     16                     17                     18
                      A                      A                      A
 Frequencies --    420.6217               427.2696               455.6707
 Red. masses --      2.1974                 3.7149                 5.1156
 Frc consts  --      0.2291                 0.3996                 0.6258
 IR Inten    --     50.4607                19.3997                14.0742
 RamAct Fr= 1--      2.3627                 1.9647                 2.7653
  Dep-P Fr= 1--      0.6954                 0.5856                 0.0650
  Dep-U Fr= 1--      0.8203                 0.7386                 0.1220
 Alpha2 Fr= 1--      0.0023                 0.0060                 0.0527
 Beta2  Fr= 1--      0.3230                 0.2419                 0.0562
 AlphaG Fr= 1--      0.0027                 0.0017                -0.0148
 Gamma2 Fr= 1--     -0.9301                 0.4159                -0.0515
 Delta2 Fr= 1--     -0.3349                 0.3351                 0.0310
 Raman1 Fr= 1--       9.451                  7.859                 11.061
 ROA1   Fr= 1--    -100.003                 50.654                 -3.952
 CID1   Fr= 1--     -10.581                  6.446                 -0.357
 Raman2 Fr= 1--       3.876                  2.902                  0.675
 ROA2   Fr= 1--     -19.642                  7.301                 -1.484
 CID2   Fr= 1--      -5.067                  2.516                 -2.200
 Raman3 Fr= 1--       7.753                  5.805                  1.349
 ROA3   Fr= 1--    -100.003                 50.654                 -3.952
 CID3   Fr= 1--     -12.899                  8.726                 -2.929
 RC180  Fr= 1--       0.641                  0.477                 -0.756
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.06  -0.03   0.03     0.06  -0.12   0.05     0.07  -0.10   0.03
     2   6    -0.01  -0.06  -0.03    -0.09  -0.04   0.11    -0.04  -0.02  -0.15
     3   6     0.05   0.07   0.09     0.14   0.01  -0.04     0.03  -0.08   0.22
     4   6    -0.01   0.08   0.07     0.07   0.04  -0.09     0.01   0.07   0.10
     5   8    -0.05   0.03  -0.03    -0.06   0.15   0.00     0.01   0.13   0.05
     6   6    -0.07  -0.07  -0.04    -0.10   0.08   0.07     0.06   0.07  -0.16
     7   8     0.10   0.01  -0.05    -0.01  -0.13  -0.03     0.07  -0.10  -0.06
     8   1     0.14  -0.06   0.01     0.03  -0.20   0.03     0.34  -0.07  -0.02
     9   8    -0.02  -0.06  -0.00    -0.10  -0.10  -0.05    -0.09   0.00   0.07
    10   1    -0.01  -0.13  -0.04    -0.20  -0.01   0.12     0.03  -0.21  -0.18
    11   1     0.07   0.18   0.09     0.22  -0.05  -0.06     0.07   0.02   0.21
    12   8     0.03   0.04  -0.04     0.14   0.07   0.00    -0.13  -0.18  -0.06
    13   6    -0.02   0.06   0.00     0.07   0.01  -0.00    -0.03  -0.00  -0.05
    14   1    -0.02   0.17   0.09     0.09   0.01  -0.09    -0.09   0.24   0.12
    15   8    -0.09  -0.06   0.01    -0.08   0.03  -0.01     0.12   0.19   0.05
    16   1    -0.09  -0.13  -0.04    -0.15   0.17   0.09     0.16  -0.09  -0.19
    17   1     0.06  -0.14   0.25     0.00  -0.16  -0.12     0.08  -0.09  -0.06
    18   1    -0.02  -0.02   0.08    -0.12   0.01   0.21    -0.00  -0.05   0.06
    19   1     0.15   0.07   0.01    -0.09   0.05  -0.21     0.10  -0.12   0.05
    20   8     0.05  -0.02  -0.02    -0.04   0.03   0.02    -0.10   0.04  -0.04
    21   1    -0.04   0.08   0.01     0.07   0.04   0.06     0.05  -0.07  -0.08
    22   1    -0.04   0.09  -0.05     0.17   0.03   0.02    -0.13  -0.05  -0.03
    23   1     0.01  -0.11   0.14     0.08   0.04   0.06    -0.24   0.11  -0.02
    24   1    -0.52   0.54   0.13     0.39  -0.43  -0.16     0.20  -0.26  -0.15
                     19                     20                     21
                      A                      A                      A
 Frequencies --    517.5716               567.8895               593.2295
 Red. masses --      5.2230                 3.2338                 3.8922
 Frc consts  --      0.8243                 0.6145                 0.8070
 IR Inten    --     34.8829                 3.8377                27.3312
 RamAct Fr= 1--     10.7136                 1.0681                 0.2567
  Dep-P Fr= 1--      0.1094                 0.2690                 0.5797
  Dep-U Fr= 1--      0.1971                 0.4239                 0.7339
 Alpha2 Fr= 1--      0.1833                 0.0120                 0.0008
 Beta2  Fr= 1--      0.3520                 0.0755                 0.0314
 AlphaG Fr= 1--      0.0097                 0.0043                -0.0003
 Gamma2 Fr= 1--      0.1806                 0.1153                 0.1359
 Delta2 Fr= 1--     -0.0352                 0.1137                 0.0012
 Raman1 Fr= 1--      42.854                  4.273                  1.027
 ROA1   Fr= 1--      16.214                 14.708                 13.087
 CID1   Fr= 1--       0.378                  3.442                 12.746
 Raman2 Fr= 1--       4.224                  0.906                  0.377
 ROA2   Fr= 1--       4.617                  1.857                  3.253
 CID2   Fr= 1--       1.093                  2.051                  8.634
 Raman3 Fr= 1--       8.449                  1.811                  0.754
 ROA3   Fr= 1--      16.214                 14.708                 13.087
 CID3   Fr= 1--       1.919                  8.121                 17.368
 RC180  Fr= 1--      -0.606                 -0.152                  0.468
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.08   0.14    -0.13  -0.06  -0.05    -0.08  -0.05   0.16
     2   6    -0.12  -0.03  -0.11    -0.04  -0.07   0.06     0.04  -0.18   0.03
     3   6     0.12  -0.00   0.05    -0.13   0.07  -0.00    -0.05  -0.04  -0.11
     4   6     0.14  -0.07  -0.05     0.06   0.18   0.05    -0.02   0.03  -0.14
     5   8     0.12  -0.11   0.03     0.17   0.00  -0.04    -0.05   0.18   0.06
     6   6     0.05  -0.13  -0.08     0.10  -0.06   0.07     0.01  -0.06  -0.16
     7   8    -0.10   0.22   0.01     0.07  -0.05  -0.01    -0.02   0.14  -0.02
     8   1     0.14   0.14   0.13    -0.30  -0.13  -0.03    -0.29  -0.15   0.18
     9   8    -0.21   0.04   0.06    -0.02   0.06  -0.00     0.14   0.01  -0.01
    10   1    -0.15  -0.23  -0.13    -0.08  -0.03   0.07     0.03  -0.58  -0.02
    11   1     0.29  -0.03   0.01    -0.31   0.17   0.04     0.05  -0.23  -0.13
    12   8     0.01   0.07  -0.03     0.05  -0.05   0.00     0.02  -0.06   0.03
    13   6     0.19  -0.05  -0.06     0.02  -0.01  -0.01    -0.02   0.01   0.04
    14   1     0.04  -0.09  -0.04     0.05   0.25   0.05     0.06  -0.10  -0.16
    15   8    -0.07  -0.05   0.02    -0.13  -0.00  -0.02    -0.02   0.04   0.04
    16   1     0.19  -0.30  -0.11     0.13  -0.04   0.07     0.06  -0.17  -0.17
    17   1    -0.12   0.04   0.04     0.08   0.14   0.10    -0.03   0.12   0.02
    18   1    -0.15  -0.04  -0.05    -0.16   0.13  -0.07    -0.07   0.13  -0.03
    19   1    -0.03   0.04   0.00     0.15   0.05  -0.12     0.00  -0.05  -0.01
    20   8    -0.08   0.04  -0.02    -0.03   0.00  -0.01     0.05  -0.02   0.04
    21   1     0.21  -0.04  -0.01     0.29  -0.24  -0.11     0.01  -0.01   0.05
    22   1     0.27  -0.07   0.01    -0.31  -0.17   0.04    -0.02  -0.00   0.05
    23   1    -0.15  -0.15   0.13    -0.06  -0.08   0.15    -0.16  -0.10   0.17
    24   1     0.04  -0.14  -0.19     0.11  -0.17  -0.11     0.04   0.01   0.09
                     22                     23                     24
                      A                      A                      A
 Frequencies --    630.5132               719.2839               910.3776
 Red. masses --      5.1667                 3.9538                 3.1282
 Frc consts  --      1.2102                 1.2052                 1.5275
 IR Inten    --     32.8417                 2.2993                32.6236
 RamAct Fr= 1--      0.0419                 0.6492                 4.3550
  Dep-P Fr= 1--      0.6296                 0.3746                 0.3208
  Dep-U Fr= 1--      0.7727                 0.5451                 0.4858
 Alpha2 Fr= 1--      0.0001                 0.0053                 0.0419
 Beta2  Fr= 1--      0.0054                 0.0590                 0.3526
 AlphaG Fr= 1--      0.0002                 0.0052                -0.0350
 Gamma2 Fr= 1--      0.0370                 0.1264                -0.2177
 Delta2 Fr= 1--      0.0399                 0.0456                -0.5250
 Raman1 Fr= 1--       0.168                  2.597                 17.420
 ROA1   Fr= 1--       4.831                 13.593                -37.698
 CID1   Fr= 1--      28.809                  5.235                 -2.164
 Raman2 Fr= 1--       0.065                  0.708                  4.231
 ROA2   Fr= 1--       0.569                  2.668                 -1.024
 CID2   Fr= 1--       8.781                  3.771                 -0.242
 Raman3 Fr= 1--       0.130                  1.415                  8.462
 ROA3   Fr= 1--       4.831                 13.593                -37.698
 CID3   Fr= 1--      37.285                  9.604                 -4.455
 RC180  Fr= 1--       0.545                  0.090                 -0.028
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.05   0.10  -0.09    -0.12  -0.03  -0.04    -0.00  -0.03  -0.04
     2   6     0.07   0.11  -0.06     0.01  -0.06   0.05    -0.00  -0.02   0.02
     3   6    -0.01  -0.08   0.07    -0.07   0.07   0.02     0.08  -0.07  -0.07
     4   6     0.11   0.11  -0.06     0.11  -0.08   0.19     0.16  -0.08   0.18
     5   8    -0.04   0.21   0.00    -0.15  -0.05   0.02     0.05   0.11  -0.05
     6   6    -0.10  -0.03   0.09    -0.12   0.05  -0.09     0.05  -0.00   0.01
     7   8    -0.05   0.06   0.05     0.01   0.01   0.01    -0.03   0.06   0.04
     8   1     0.20   0.26  -0.09    -0.32  -0.09  -0.01    -0.12   0.01  -0.01
     9   8     0.11  -0.04  -0.00     0.11  -0.01  -0.02    -0.00   0.00  -0.00
    10   1     0.18   0.36  -0.03     0.08  -0.18   0.02    -0.01   0.02   0.02
    11   1    -0.05  -0.17   0.08    -0.31   0.32   0.08    -0.05   0.06  -0.03
    12   8    -0.14  -0.18   0.01     0.03   0.03   0.00    -0.00  -0.00   0.00
    13   6     0.18  -0.01  -0.02     0.25  -0.06  -0.07    -0.16  -0.06   0.09
    14   1     0.11   0.19  -0.05     0.05  -0.04   0.20     0.62  -0.04   0.13
    15   8    -0.14  -0.20  -0.01     0.07   0.03   0.03    -0.04  -0.03   0.00
    16   1    -0.19  -0.09   0.10    -0.20   0.08  -0.08     0.02  -0.02   0.01
    17   1    -0.05  -0.02  -0.01     0.02   0.15   0.10    -0.04  -0.00  -0.00
    18   1     0.21  -0.08   0.05    -0.02   0.06  -0.04    -0.05   0.02  -0.01
    19   1    -0.07  -0.13  -0.04     0.08   0.07  -0.04    -0.14  -0.12   0.13
    20   8    -0.03   0.02   0.00    -0.09   0.05  -0.07    -0.04   0.03  -0.15
    21   1     0.32  -0.10  -0.01     0.16   0.02  -0.06    -0.49   0.18   0.06
    22   1     0.11  -0.08   0.03     0.36  -0.03  -0.07     0.01   0.14  -0.14
    23   1     0.10  -0.10  -0.04     0.02   0.06  -0.04    -0.04  -0.07   0.06
    24   1     0.01  -0.08  -0.15    -0.07  -0.04  -0.27     0.07   0.06   0.15
                     25                     26                     27
                      A                      A                      A
 Frequencies --    922.4700              1014.3746              1023.7932
 Red. masses --      1.9912                 3.8960                 3.9067
 Frc consts  --      0.9983                 2.3619                 2.4126
 IR Inten    --      5.4616                99.1692                52.4279
 RamAct Fr= 1--      2.0769                 0.5821                 1.3290
  Dep-P Fr= 1--      0.2860                 0.2123                 0.2401
  Dep-U Fr= 1--      0.4448                 0.3502                 0.3872
 Alpha2 Fr= 1--      0.0222                 0.0076                 0.0162
 Beta2  Fr= 1--      0.1540                 0.0340                 0.0858
 AlphaG Fr= 1--     -0.0301                 0.0105                -0.0244
 Gamma2 Fr= 1--     -0.2264                 0.5656                 0.3823
 Delta2 Fr= 1--      0.2093                 0.6575                 0.3664
 Raman1 Fr= 1--       8.308                  2.328                  5.316
 ROA1   Fr= 1--     -15.041                 75.340                 48.427
 CID1   Fr= 1--      -1.810                 32.359                  9.109
 Raman2 Fr= 1--       1.848                  0.408                  1.029
 ROA2   Fr= 1--      -7.109                  8.315                  6.244
 CID2   Fr= 1--      -3.847                 20.394                  6.066
 Raman3 Fr= 1--       3.695                  0.815                  2.059
 ROA3   Fr= 1--     -15.041                 75.340                 48.427
 CID3   Fr= 1--      -4.070                 92.390                 23.524
 RC180  Fr= 1--      -0.110                 -0.300                 -0.226
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.06   0.00  -0.03     0.07   0.10   0.20     0.23   0.05  -0.16
     2   6    -0.01  -0.02  -0.01     0.12   0.17   0.08     0.11  -0.16   0.17
     3   6    -0.02   0.07   0.11    -0.13   0.15  -0.09     0.01   0.09  -0.11
     4   6    -0.05  -0.08  -0.07     0.02  -0.02  -0.01    -0.08  -0.02   0.06
     5   8     0.02   0.08  -0.04    -0.01   0.00   0.01     0.00   0.04  -0.03
     6   6     0.09  -0.02   0.04     0.06   0.01  -0.14    -0.01  -0.08  -0.01
     7   8     0.01  -0.02  -0.01     0.05  -0.11  -0.07    -0.01   0.09   0.08
     8   1    -0.01  -0.01  -0.04    -0.09  -0.10   0.18     0.08   0.11  -0.12
     9   8     0.01   0.01   0.00    -0.11   0.02  -0.04    -0.13  -0.01  -0.03
    10   1     0.00   0.06   0.00    -0.07  -0.04   0.07     0.06  -0.15   0.16
    11   1    -0.06   0.14   0.12    -0.16   0.10  -0.07    -0.29   0.17  -0.04
    12   8    -0.00   0.01  -0.00    -0.05  -0.06   0.06    -0.06  -0.08   0.05
    13   6     0.01  -0.15  -0.06     0.03  -0.05   0.07     0.04  -0.01  -0.07
    14   1    -0.23   0.10  -0.05     0.20  -0.23  -0.05    -0.23   0.01   0.07
    15   8    -0.02  -0.00  -0.01    -0.02  -0.08   0.03     0.03   0.07  -0.03
    16   1     0.10  -0.02   0.04     0.05  -0.06  -0.13    -0.05   0.11   0.02
    17   1     0.02   0.12   0.08     0.05  -0.28  -0.21    -0.03  -0.39  -0.28
    18   1    -0.04   0.03  -0.01     0.36  -0.20   0.17    -0.38   0.10  -0.14
    19   1     0.13   0.11  -0.11     0.22   0.16  -0.20    -0.04  -0.07   0.05
    20   8     0.01   0.01   0.04    -0.02   0.02  -0.08     0.00  -0.00   0.06
    21   1    -0.38   0.23   0.23    -0.03   0.01   0.12     0.01   0.02  -0.06
    22   1     0.61   0.12  -0.13     0.12   0.02  -0.00     0.08  -0.01  -0.04
    23   1    -0.04  -0.04   0.04    -0.11  -0.18   0.13    -0.14  -0.11   0.16
    24   1     0.07   0.05   0.27     0.04   0.02   0.06    -0.04  -0.02  -0.06
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1039.1561              1064.6092              1075.0355
 Red. masses --      2.8629                 4.2173                 4.6457
 Frc consts  --      1.8215                 2.8162                 3.1634
 IR Inten    --     32.9089                13.7859               150.9676
 RamAct Fr= 1--      0.5581                10.0991                 2.1596
  Dep-P Fr= 1--      0.6509                 0.1131                 0.7032
  Dep-U Fr= 1--      0.7886                 0.2033                 0.8257
 Alpha2 Fr= 1--      0.0010                 0.1712                 0.0018
 Beta2  Fr= 1--      0.0733                 0.3421                 0.2972
 AlphaG Fr= 1--      0.0066                 0.0892                -0.0069
 Gamma2 Fr= 1--      0.7903                -0.8083                -1.4427
 Delta2 Fr= 1--      0.4306                -0.5183                -0.3819
 Raman1 Fr= 1--       2.232                 40.396                  8.638
 ROA1   Fr= 1--      89.653                -94.183               -150.716
 CID1   Fr= 1--      40.161                 -2.331                -17.447
 Raman2 Fr= 1--       0.880                  4.106                  3.567
 ROA2   Fr= 1--      15.523                -15.252                -31.568
 CID2   Fr= 1--      17.636                 -3.715                 -8.851
 Raman3 Fr= 1--       1.760                  8.212                  7.133
 ROA3   Fr= 1--      89.653                -94.183               -150.716
 CID3   Fr= 1--      50.929                -11.470                -21.129
 RC180  Fr= 1--       0.577                 -0.593                  0.651
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.06  -0.01   0.01     0.07  -0.01   0.15     0.01   0.05   0.08
     2   6    -0.00   0.15   0.09    -0.01  -0.09  -0.21    -0.01   0.01  -0.07
     3   6     0.06  -0.12  -0.03    -0.12  -0.02  -0.11    -0.02   0.06  -0.05
     4   6    -0.09  -0.06   0.14    -0.12  -0.09   0.14     0.02  -0.12   0.07
     5   8     0.01   0.09  -0.05    -0.08   0.09  -0.13     0.28   0.05   0.01
     6   6     0.09  -0.04  -0.11     0.17   0.06   0.22    -0.29   0.10  -0.02
     7   8    -0.01  -0.02  -0.01     0.02   0.01  -0.02     0.02  -0.03  -0.04
     8   1    -0.22  -0.12   0.02     0.12   0.11   0.15    -0.12   0.03   0.10
     9   8    -0.01   0.01  -0.02     0.00   0.01   0.04     0.03  -0.01   0.01
    10   1    -0.03   0.25   0.11    -0.14  -0.23  -0.20     0.01  -0.38  -0.13
    11   1     0.09  -0.02  -0.03    -0.10   0.06  -0.11    -0.10   0.14  -0.03
    12   8     0.04   0.04  -0.03     0.03   0.03   0.00    -0.02  -0.03   0.03
    13   6     0.03   0.05  -0.13     0.11   0.02   0.01    -0.08   0.00  -0.19
    14   1    -0.29   0.07   0.16    -0.11  -0.19   0.12     0.06  -0.09   0.04
    15   8    -0.01  -0.05   0.00    -0.05  -0.01   0.00    -0.03  -0.03   0.04
    16   1     0.12  -0.06  -0.12     0.15  -0.04   0.21    -0.19  -0.05  -0.03
    17   1    -0.01   0.07   0.06     0.01  -0.24  -0.17     0.01  -0.05  -0.03
    18   1     0.21  -0.09   0.08     0.02  -0.01   0.03     0.06  -0.03  -0.01
    19   1    -0.25  -0.20   0.23    -0.06  -0.04   0.06     0.06   0.05  -0.07
    20   8     0.01  -0.02   0.12    -0.01   0.00  -0.00     0.01  -0.02   0.15
    21   1     0.01   0.01  -0.26     0.08  -0.03  -0.20    -0.28   0.11  -0.27
    22   1    -0.08  -0.06  -0.01    -0.02  -0.09   0.10    -0.01  -0.00  -0.12
    23   1    -0.23  -0.29   0.26     0.23   0.23  -0.23     0.27   0.28  -0.29
    24   1    -0.11  -0.04  -0.19    -0.11  -0.01  -0.27    -0.05  -0.06  -0.08
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1085.1387              1100.6041              1112.1240
 Red. masses --      2.7408                 2.3049                 2.6797
 Frc consts  --      1.9015                 1.6450                 1.9527
 IR Inten    --    153.7214               166.8527                81.7796
 RamAct Fr= 1--      2.7630                 0.7571                 5.9506
  Dep-P Fr= 1--      0.4974                 0.3843                 0.7414
  Dep-U Fr= 1--      0.6643                 0.5552                 0.8515
 Alpha2 Fr= 1--      0.0138                 0.0059                 0.0009
 Beta2  Fr= 1--      0.3059                 0.0701                 0.8445
 AlphaG Fr= 1--      0.0105                -0.0031                -0.0007
 Gamma2 Fr= 1--      0.3346                 0.4881                -1.0084
 Delta2 Fr= 1--     -0.0771                 0.0281                -0.5864
 Raman1 Fr= 1--      11.052                  3.028                 23.802
 ROA1   Fr= 1--      29.652                 47.760               -115.567
 CID1   Fr= 1--       2.683                 15.770                 -4.855
 Raman2 Fr= 1--       3.671                  0.841                 10.134
 ROA2   Fr= 1--       8.647                 11.491                -19.510
 CID2   Fr= 1--       2.355                 13.668                 -1.925
 Raman3 Fr= 1--       7.342                  1.681                 20.268
 ROA3   Fr= 1--      29.652                 47.760               -115.567
 CID3   Fr= 1--       4.039                 28.404                 -5.702
 RC180  Fr= 1--       0.329                  0.110                  0.703
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03  -0.11   0.03     0.07  -0.03   0.03    -0.09   0.26   0.01
     2   6     0.11   0.02  -0.09    -0.05   0.05  -0.00     0.07  -0.08   0.04
     3   6     0.13   0.05  -0.11    -0.10  -0.12  -0.06     0.10  -0.05  -0.01
     4   6     0.05   0.15   0.03    -0.09   0.09   0.05    -0.05   0.03   0.04
     5   8    -0.07  -0.08   0.02     0.09  -0.00   0.02     0.02  -0.00  -0.00
     6   6     0.04   0.04   0.04    -0.11  -0.03  -0.02     0.01   0.07  -0.01
     7   8    -0.02   0.04   0.01     0.00   0.03   0.02     0.02  -0.11  -0.08
     8   1    -0.40  -0.21   0.08     0.03   0.00   0.04    -0.12   0.29   0.01
     9   8    -0.07   0.03  -0.02     0.03  -0.01   0.01    -0.03  -0.01  -0.01
    10   1     0.08  -0.08  -0.10    -0.10   0.03   0.00     0.16  -0.35  -0.01
    11   1     0.10   0.12  -0.10    -0.18  -0.06  -0.05     0.26  -0.13  -0.04
    12   8    -0.03  -0.07   0.04     0.05   0.05  -0.04    -0.00  -0.01  -0.01
    13   6    -0.02  -0.05  -0.10     0.06  -0.09   0.05     0.03  -0.02   0.05
    14   1    -0.17   0.28   0.07    -0.31   0.30   0.09    -0.18   0.10   0.06
    15   8    -0.01  -0.02   0.02     0.02   0.02  -0.01    -0.03  -0.03   0.03
    16   1    -0.02  -0.03   0.04    -0.05  -0.08  -0.03    -0.00   0.11  -0.00
    17   1    -0.02   0.08   0.04    -0.01  -0.25  -0.16     0.03   0.14   0.09
    18   1     0.25  -0.12   0.12     0.13  -0.06   0.03    -0.38   0.16  -0.14
    19   1    -0.15  -0.18   0.15    -0.15  -0.11   0.14    -0.26  -0.22   0.20
    20   8    -0.00   0.00   0.06    -0.02   0.02  -0.07    -0.01   0.01  -0.05
    21   1    -0.06   0.07   0.18     0.13  -0.01   0.47     0.11  -0.03   0.20
    22   1     0.11   0.13  -0.27     0.17   0.10  -0.19     0.03   0.03  -0.03
    23   1     0.17   0.18  -0.18     0.01   0.02  -0.01     0.08   0.08  -0.09
    24   1     0.07   0.01   0.25     0.14   0.06   0.36     0.05   0.03   0.13
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1121.0793              1127.6325              1154.2106
 Red. masses --      3.4691                 4.2808                 3.6035
 Frc consts  --      2.5688                 3.2071                 2.8284
 IR Inten    --     49.8520                42.6963                33.6949
 RamAct Fr= 1--      7.5557                 6.2389                 2.4847
  Dep-P Fr= 1--      0.7443                 0.3811                 0.4151
  Dep-U Fr= 1--      0.8534                 0.5519                 0.5867
 Alpha2 Fr= 1--      0.0007                 0.0494                 0.0174
 Beta2  Fr= 1--      1.0747                 0.5738                 0.2430
 AlphaG Fr= 1--     -0.0053                 0.0094                 0.0074
 Gamma2 Fr= 1--      0.7272                -1.7697                 1.5381
 Delta2 Fr= 1--     -0.2395                -1.2952                 1.0292
 Raman1 Fr= 1--      30.223                 24.955                  9.939
 ROA1   Fr= 1--      62.144               -211.335                180.596
 CID1   Fr= 1--       2.056                 -8.468                 18.171
 Raman2 Fr= 1--      12.896                  6.886                  2.916
 ROA2   Fr= 1--      19.368                -32.111                 28.682
 CID2   Fr= 1--       1.502                 -4.663                  9.837
 Raman3 Fr= 1--      25.792                 13.772                  5.831
 ROA3   Fr= 1--      62.144               -211.335                180.596
 CID3   Fr= 1--       2.409                -15.345                 30.971
 RC180  Fr= 1--       0.707                  0.104                  0.173
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.07  -0.10   0.00    -0.02   0.01   0.02     0.05  -0.13  -0.12
     2   6     0.25   0.00  -0.03    -0.21   0.05  -0.03    -0.06   0.01   0.01
     3   6     0.03   0.00   0.07     0.20   0.22  -0.14     0.06   0.05   0.02
     4   6    -0.12  -0.10  -0.01    -0.12  -0.02   0.05    -0.09  -0.06  -0.04
     5   8     0.08   0.08  -0.02     0.04   0.01  -0.04     0.07  -0.00  -0.01
     6   6    -0.12  -0.09   0.06    -0.05  -0.12   0.03     0.08   0.26  -0.13
     7   8    -0.02   0.02   0.01    -0.01  -0.03  -0.03    -0.02   0.06   0.06
     8   1    -0.18  -0.28   0.01    -0.04   0.04   0.01    -0.00  -0.25  -0.13
     9   8    -0.13   0.04  -0.05     0.13  -0.02   0.04     0.02  -0.00   0.00
    10   1     0.34   0.12  -0.03    -0.31   0.26   0.02    -0.04  -0.33  -0.04
    11   1     0.10   0.02   0.05     0.40   0.27  -0.16    -0.11   0.19   0.06
    12   8     0.01   0.02  -0.01    -0.08  -0.13   0.10    -0.01  -0.02   0.01
    13   6     0.05   0.02   0.14     0.05  -0.01   0.09     0.02   0.03   0.10
    14   1    -0.14  -0.10  -0.01    -0.20  -0.17   0.04    -0.45  -0.14  -0.01
    15   8     0.02   0.06  -0.03     0.04   0.07  -0.05    -0.08  -0.15   0.11
    16   1    -0.15  -0.16   0.06     0.06  -0.20   0.00     0.14   0.37  -0.12
    17   1    -0.01   0.37   0.25     0.00   0.18   0.16    -0.03   0.03   0.02
    18   1     0.19  -0.13   0.07     0.04   0.02  -0.01     0.03   0.00   0.04
    19   1    -0.01  -0.01   0.03    -0.06  -0.11   0.05     0.01  -0.00   0.01
    20   8     0.00   0.00  -0.09    -0.00   0.01  -0.06     0.00  -0.01  -0.07
    21   1     0.13  -0.09  -0.01     0.13  -0.06   0.10     0.21  -0.10   0.11
    22   1    -0.01  -0.11   0.29     0.07  -0.04   0.13    -0.02  -0.07   0.22
    23   1     0.13   0.14  -0.10    -0.13  -0.12   0.15     0.07   0.03  -0.10
    24   1    -0.04   0.02  -0.15     0.01   0.00  -0.06     0.03   0.02   0.07
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1206.0550              1240.4314              1245.9996
 Red. masses --      1.2567                 1.2165                 1.1459
 Frc consts  --      1.0770                 1.1028                 1.0481
 IR Inten    --      5.9616                47.7260                28.3942
 RamAct Fr= 1--      2.1133                 2.0332                 2.6761
  Dep-P Fr= 1--      0.0693                 0.6210                 0.7300
  Dep-U Fr= 1--      0.1297                 0.7662                 0.8439
 Alpha2 Fr= 1--      0.0399                 0.0048                 0.0009
 Beta2  Fr= 1--      0.0457                 0.2596                 0.3764
 AlphaG Fr= 1--     -0.0072                -0.0174                 0.0061
 Gamma2 Fr= 1--     -0.1011                 0.7507                 0.0611
 Delta2 Fr= 1--     -0.0340                -0.2534                 0.1962
 Raman1 Fr= 1--       8.453                  8.133                 10.704
 ROA1   Fr= 1--     -10.795                 63.956                 12.141
 CID1   Fr= 1--      -1.277                  7.864                  1.134
 Raman2 Fr= 1--       0.548                  3.116                  4.517
 ROA2   Fr= 1--      -2.154                 20.043                 -0.104
 CID2   Fr= 1--      -3.930                  6.433                 -0.023
 Raman3 Fr= 1--       1.096                  6.231                  9.034
 ROA3   Fr= 1--     -10.795                 63.956                 12.141
 CID3   Fr= 1--      -9.846                 10.263                  1.344
 RC180  Fr= 1--      -0.741                  0.532                  0.688
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.06   0.03    -0.02  -0.04   0.07     0.01   0.02   0.01
     2   6     0.03  -0.04  -0.02     0.01  -0.01  -0.03     0.02  -0.05  -0.04
     3   6    -0.05   0.02  -0.04    -0.01   0.00  -0.03    -0.02  -0.00  -0.01
     4   6    -0.02   0.01   0.06    -0.00   0.03  -0.02     0.01   0.01  -0.03
     5   8     0.02   0.01  -0.01     0.01  -0.02   0.02     0.01  -0.01   0.02
     6   6     0.00   0.03  -0.03    -0.01   0.03  -0.04    -0.02   0.01   0.03
     7   8    -0.01   0.00  -0.00     0.01   0.01  -0.01    -0.01  -0.01  -0.01
     8   1     0.45   0.05  -0.04    -0.04   0.17   0.10     0.18   0.08  -0.02
     9   8    -0.01  -0.00  -0.00     0.00  -0.02   0.01    -0.01   0.03  -0.00
    10   1     0.22   0.32   0.00     0.31   0.44  -0.02    -0.26  -0.17  -0.02
    11   1     0.27  -0.18  -0.12     0.01   0.21  -0.02    -0.11   0.19   0.02
    12   8    -0.00  -0.00   0.01     0.01  -0.01   0.01     0.02  -0.01  -0.01
    13   6     0.02  -0.01  -0.05    -0.01  -0.03   0.04    -0.01  -0.01   0.01
    14   1     0.04  -0.30   0.03    -0.06   0.28   0.00     0.02   0.11  -0.02
    15   8    -0.00  -0.02   0.01    -0.00  -0.02   0.01     0.02  -0.01  -0.02
    16   1    -0.12   0.29   0.01     0.01   0.19  -0.03    -0.16   0.48   0.08
    17   1    -0.00   0.22   0.16     0.00  -0.18  -0.12    -0.00   0.21   0.15
    18   1    -0.15   0.06  -0.06    -0.32   0.13  -0.13     0.34  -0.14   0.14
    19   1     0.09   0.08  -0.09    -0.07  -0.07   0.07    -0.17  -0.15   0.15
    20   8    -0.01   0.01   0.01     0.01  -0.00  -0.01     0.01  -0.00  -0.00
    21   1     0.12  -0.02   0.16    -0.23   0.06  -0.19    -0.09   0.02  -0.07
    22   1    -0.10   0.08  -0.24     0.20  -0.09   0.25     0.07  -0.03   0.08
    23   1    -0.09  -0.10   0.10    -0.03  -0.04   0.03    -0.23  -0.27   0.26
    24   1     0.06   0.02   0.20    -0.09  -0.02  -0.27    -0.03  -0.01  -0.09
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1251.0780              1259.0050              1326.4334
 Red. masses --      1.2673                 1.2026                 1.1970
 Frc consts  --      1.1687                 1.1231                 1.2408
 IR Inten    --     31.7783                15.0240                22.1333
 RamAct Fr= 1--      3.1065                 5.1290                 3.0063
  Dep-P Fr= 1--      0.7499                 0.7493                 0.3169
  Dep-U Fr= 1--      0.8571                 0.8567                 0.4813
 Alpha2 Fr= 1--      0.0000                 0.0001                 0.0293
 Beta2  Fr= 1--      0.4438                 0.7323                 0.2411
 AlphaG Fr= 1--      0.0001                -0.0020                -0.0337
 Gamma2 Fr= 1--      0.1501                 0.1990                -0.7591
 Delta2 Fr= 1--      0.5687                -0.4529                -0.1556
 Raman1 Fr= 1--      12.426                 20.516                 12.025
 ROA1   Fr= 1--      32.602                  4.616                -77.851
 CID1   Fr= 1--       2.624                  0.225                 -6.474
 Raman2 Fr= 1--       5.325                  8.788                  2.894
 ROA2   Fr= 1--      -0.948                  8.400                -16.973
 CID2   Fr= 1--      -0.178                  0.956                 -5.866
 Raman3 Fr= 1--      10.650                 17.575                  5.787
 ROA3   Fr= 1--      32.602                  4.616                -77.851
 CID3   Fr= 1--       3.061                  0.263                -13.453
 RC180  Fr= 1--       0.714                  0.713                 -0.037
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.01  -0.03     0.00  -0.01   0.04     0.03   0.00   0.00
     2   6    -0.01   0.03   0.07    -0.00   0.02   0.02    -0.00   0.03  -0.02
     3   6    -0.05   0.01  -0.05    -0.02   0.01  -0.00     0.00  -0.00  -0.02
     4   6    -0.03   0.06   0.01     0.04  -0.06  -0.06    -0.06  -0.06  -0.01
     5   8    -0.00  -0.02   0.01    -0.02   0.01   0.00    -0.01  -0.01   0.00
     6   6     0.01   0.00  -0.02     0.01  -0.02  -0.01    -0.05   0.02   0.05
     7   8    -0.02  -0.01   0.01    -0.01  -0.01  -0.01    -0.01  -0.00   0.00
     8   1     0.52  -0.14  -0.14     0.26   0.03   0.00    -0.07  -0.14  -0.00
     9   8    -0.00   0.00  -0.01    -0.00  -0.01  -0.00    -0.00  -0.01  -0.00
    10   1     0.02  -0.21   0.04     0.11   0.07   0.02     0.22  -0.14  -0.06
    11   1     0.12  -0.05  -0.09    -0.22   0.63   0.07     0.05   0.02  -0.03
    12   8     0.01  -0.01   0.00     0.03  -0.01  -0.00    -0.01   0.00   0.01
    13   6     0.02  -0.05   0.02    -0.02   0.05  -0.03     0.02   0.01  -0.01
    14   1     0.14   0.14  -0.00     0.04  -0.03  -0.06     0.38   0.50  -0.02
    15   8    -0.01   0.00   0.01    -0.01   0.01   0.00     0.02  -0.01  -0.01
    16   1     0.14  -0.28  -0.06     0.02  -0.20  -0.02     0.55   0.12  -0.02
    17   1    -0.01   0.29   0.21    -0.00   0.11   0.08    -0.00   0.08   0.06
    18   1     0.02  -0.01   0.02    -0.13   0.05  -0.05    -0.09   0.04  -0.03
    19   1    -0.08  -0.07   0.06    -0.26  -0.24   0.24     0.09   0.08  -0.08
    20   8     0.01   0.01   0.01    -0.01  -0.01   0.00    -0.00   0.01   0.01
    21   1    -0.25   0.09  -0.16     0.21  -0.08   0.11     0.13  -0.04   0.08
    22   1     0.18  -0.04   0.09    -0.14   0.04  -0.08    -0.11   0.04  -0.15
    23   1     0.16   0.18  -0.17     0.07   0.09  -0.08    -0.14  -0.16   0.14
    24   1    -0.10  -0.02  -0.28     0.09   0.00   0.23     0.01   0.00   0.02
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1332.9666              1346.3991              1353.3473
 Red. masses --      1.3562                 1.2940                 1.2787
 Frc consts  --      1.4198                 1.3821                 1.3799
 IR Inten    --     38.2173                30.8310                51.4767
 RamAct Fr= 1--      3.6647                 2.7127                 1.7833
  Dep-P Fr= 1--      0.7453                 0.7187                 0.5362
  Dep-U Fr= 1--      0.8541                 0.8363                 0.6981
 Alpha2 Fr= 1--      0.0003                 0.0015                 0.0074
 Beta2  Fr= 1--      0.5216                 0.3781                 0.2075
 AlphaG Fr= 1--      0.0016                 0.0060                 0.0051
 Gamma2 Fr= 1--      1.3564                 0.0665                -0.5763
 Delta2 Fr= 1--     -0.5155                -0.6773                 0.3907
 Raman1 Fr= 1--      14.659                 10.851                  7.133
 ROA1   Fr= 1--     113.718                -15.288                -42.824
 CID1   Fr= 1--       7.758                 -1.409                 -6.004
 Raman2 Fr= 1--       6.260                  4.537                  2.490
 ROA2   Fr= 1--      36.677                  7.015                -16.958
 CID2   Fr= 1--       5.859                  1.546                 -6.811
 Raman3 Fr= 1--      12.520                  9.075                  4.979
 ROA3   Fr= 1--     113.718                -15.288                -42.824
 CID3   Fr= 1--       9.083                 -1.685                 -8.600
 RC180  Fr= 1--       0.708                  0.673                  0.396
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.00  -0.03    -0.04  -0.02  -0.01    -0.09  -0.02  -0.05
     2   6     0.00  -0.01  -0.02    -0.04   0.10   0.00    -0.01  -0.05   0.05
     3   6    -0.02   0.05   0.08    -0.01  -0.01   0.01    -0.04   0.00   0.00
     4   6    -0.09   0.05  -0.03     0.03   0.04   0.00    -0.01  -0.04   0.01
     5   8     0.01  -0.01   0.00     0.00  -0.00  -0.02     0.00   0.01   0.00
     6   6    -0.01   0.01  -0.01    -0.01   0.01   0.07     0.00  -0.01  -0.01
     7   8     0.02   0.01   0.02     0.01   0.01   0.01     0.03   0.02   0.01
     8   1    -0.20  -0.15  -0.01     0.09  -0.04  -0.03     0.14   0.38  -0.03
     9   8     0.00   0.00   0.00     0.00  -0.01  -0.02    -0.01   0.04  -0.02
    10   1    -0.07   0.09   0.00     0.55  -0.52  -0.14     0.07  -0.06   0.04
    11   1     0.18   0.06   0.04     0.08   0.11  -0.00     0.54   0.21  -0.11
    12   8     0.03  -0.01  -0.03     0.01  -0.00   0.00     0.00  -0.00   0.02
    13   6     0.04  -0.05   0.00    -0.01  -0.02   0.01    -0.00   0.03  -0.02
    14   1     0.49  -0.38  -0.12    -0.18  -0.31  -0.00     0.09   0.19   0.01
    15   8    -0.00  -0.00   0.01     0.02  -0.00  -0.04    -0.01   0.00   0.01
    16   1     0.06   0.10  -0.02    -0.11  -0.07   0.08     0.05   0.00  -0.01
    17   1     0.01  -0.22  -0.14     0.00  -0.17  -0.12     0.01  -0.33  -0.22
    18   1     0.01  -0.01   0.00    -0.08   0.03  -0.03     0.38  -0.15   0.14
    19   1    -0.29  -0.26   0.25    -0.02  -0.02   0.02     0.02   0.02  -0.02
    20   8     0.01   0.02   0.02     0.01   0.00   0.00    -0.01  -0.01  -0.01
    21   1    -0.03   0.02   0.07    -0.06   0.02   0.01     0.07  -0.03  -0.02
    22   1    -0.08   0.08  -0.27     0.02   0.00   0.00     0.05  -0.04   0.10
    23   1     0.02   0.02  -0.02    -0.20  -0.23   0.21     0.07   0.08  -0.07
    24   1    -0.08  -0.01  -0.22    -0.02  -0.00  -0.07     0.05   0.01   0.14
                     46                     47                     48
                      A                      A                      A
 Frequencies --   1365.3787              1383.6440              1393.5615
 Red. masses --      1.2035                 1.2568                 1.3646
 Frc consts  --      1.3220                 1.4176                 1.5613
 IR Inten    --      2.8207                14.8089                 5.8365
 RamAct Fr= 1--      0.5322                 1.6782                 3.8184
  Dep-P Fr= 1--      0.6042                 0.7083                 0.6136
  Dep-U Fr= 1--      0.7533                 0.8292                 0.7606
 Alpha2 Fr= 1--      0.0014                 0.0012                 0.0096
 Beta2  Fr= 1--      0.0668                 0.2319                 0.4840
 AlphaG Fr= 1--      0.0009                -0.0104                -0.0146
 Gamma2 Fr= 1--     -0.0158                 0.3420                 0.5482
 Delta2 Fr= 1--     -0.1746                 0.9151                 0.0101
 Raman1 Fr= 1--       2.129                  6.713                 15.274
 ROA1   Fr= 1--      -7.107                 62.109                 52.952
 CID1   Fr= 1--      -3.338                  9.252                  3.467
 Raman2 Fr= 1--       0.802                  2.783                  5.808
 ROA2   Fr= 1--       1.017                  0.886                 13.077
 CID2   Fr= 1--       1.268                  0.318                  2.251
 Raman3 Fr= 1--       1.604                  5.566                 11.616
 ROA3   Fr= 1--      -7.107                 62.109                 52.952
 CID3   Fr= 1--      -4.432                 11.158                  4.558
 RC180  Fr= 1--       0.507                  0.658                  0.521
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.04   0.02     0.02   0.01   0.01    -0.01   0.06  -0.01
     2   6    -0.02  -0.04   0.05    -0.01  -0.02   0.00     0.03  -0.04  -0.01
     3   6     0.06  -0.00   0.00    -0.03   0.05   0.02    -0.05  -0.04   0.00
     4   6     0.00   0.03  -0.01     0.02   0.04   0.03     0.11   0.01  -0.01
     5   8    -0.01  -0.00  -0.02    -0.01  -0.00  -0.02    -0.01   0.01  -0.03
     6   6    -0.03  -0.00   0.00    -0.05   0.00   0.02    -0.07  -0.00   0.01
     7   8    -0.01  -0.00  -0.03    -0.00  -0.00  -0.00     0.01   0.00   0.01
     8   1     0.02   0.56   0.11    -0.05  -0.07   0.01     0.02  -0.36  -0.08
     9   8    -0.01   0.02  -0.02    -0.00   0.00  -0.01     0.00  -0.00   0.01
    10   1     0.21   0.05   0.04     0.11   0.07  -0.00    -0.18   0.15   0.03
    11   1    -0.38  -0.08   0.09    -0.06  -0.27   0.02     0.31   0.24  -0.07
    12   8    -0.01   0.00  -0.01     0.02  -0.01  -0.03     0.00  -0.00   0.01
    13   6     0.00  -0.03   0.02    -0.04   0.05  -0.06    -0.02  -0.02   0.03
    14   1    -0.10  -0.23  -0.02     0.08  -0.23   0.00    -0.47  -0.18   0.04
    15   8    -0.00   0.00   0.01     0.01  -0.00   0.00     0.01  -0.00   0.01
    16   1     0.43   0.01  -0.06     0.40   0.03  -0.05     0.53   0.08  -0.07
    17   1    -0.00   0.07   0.05    -0.00   0.01   0.02     0.00  -0.05  -0.03
    18   1     0.24  -0.10   0.09     0.05  -0.02   0.02     0.01  -0.01   0.00
    19   1     0.03   0.02  -0.02    -0.18  -0.16   0.15     0.02   0.02  -0.02
    20   8     0.01   0.02   0.01    -0.02  -0.03  -0.02     0.01   0.01   0.00
    21   1    -0.04   0.02   0.08     0.10  -0.05  -0.09    -0.10   0.04   0.03
    22   1    -0.12   0.07  -0.19     0.41  -0.14   0.47    -0.14   0.04  -0.11
    23   1     0.04   0.05  -0.05    -0.03  -0.02   0.02    -0.01  -0.00   0.00
    24   1    -0.06  -0.01  -0.21     0.11   0.01   0.34    -0.03  -0.01  -0.13
                     49                     50                     51
                      A                      A                      A
 Frequencies --   1422.0455              1428.6032              1441.0602
 Red. masses --      1.5130                 1.4409                 1.4062
 Frc consts  --      1.8027                 1.7326                 1.7206
 IR Inten    --     24.0902                19.8737                 2.0020
 RamAct Fr= 1--      4.4810                 4.5735                 2.5373
  Dep-P Fr= 1--      0.7028                 0.4627                 0.4168
  Dep-U Fr= 1--      0.8255                 0.6326                 0.5884
 Alpha2 Fr= 1--      0.0037                 0.0266                 0.0177
 Beta2  Fr= 1--      0.6165                 0.4822                 0.2488
 AlphaG Fr= 1--     -0.0007                 0.0277                -0.0096
 Gamma2 Fr= 1--      0.3375                -0.4164                -0.0914
 Delta2 Fr= 1--     -0.1956                 0.4467                -0.2340
 Raman1 Fr= 1--      17.924                 18.294                 10.149
 ROA1   Fr= 1--      26.145                -25.684                -16.258
 CID1   Fr= 1--       1.459                 -1.404                 -1.602
 Raman2 Fr= 1--       7.398                  5.787                  2.986
 ROA2   Fr= 1--       9.666                -13.568                 -0.321
 CID2   Fr= 1--       1.307                 -2.345                 -0.107
 Raman3 Fr= 1--      14.796                 11.573                  5.972
 ROA3   Fr= 1--      26.145                -25.684                -16.258
 CID3   Fr= 1--       1.767                 -2.219                 -2.723
 RC180  Fr= 1--       0.651                  0.265                  0.177
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.12   0.02  -0.01     0.08   0.02  -0.00     0.08  -0.08  -0.03
     2   6    -0.09  -0.06   0.01    -0.05  -0.05   0.01     0.06   0.07   0.00
     3   6    -0.07   0.04   0.02    -0.06   0.02   0.01    -0.07  -0.03   0.02
     4   6     0.03  -0.02  -0.02     0.05  -0.04   0.01     0.00   0.03   0.00
     5   8     0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
     6   6     0.02   0.03   0.00     0.03   0.03   0.00    -0.01   0.01   0.01
     7   8    -0.02  -0.01  -0.01    -0.01  -0.01  -0.01    -0.02  -0.01  -0.02
     8   1    -0.34  -0.01   0.07    -0.20  -0.03   0.04    -0.32   0.54   0.14
     9   8    -0.00   0.02  -0.02    -0.00   0.01  -0.01     0.00  -0.03   0.02
    10   1     0.40   0.12  -0.02     0.23   0.11  -0.00    -0.36  -0.19   0.01
    11   1     0.20  -0.07  -0.04     0.17  -0.08  -0.04     0.34   0.20  -0.06
    12   8     0.01  -0.01  -0.01     0.01  -0.00  -0.00     0.01   0.00   0.01
    13   6     0.08   0.00   0.05    -0.11  -0.02  -0.03    -0.00  -0.00  -0.01
    14   1    -0.15   0.09   0.01    -0.06   0.11   0.04     0.01  -0.13  -0.01
    15   8     0.00   0.00  -0.01    -0.00  -0.00  -0.01     0.00  -0.01  -0.01
    16   1    -0.13  -0.12   0.01    -0.18  -0.16   0.02     0.08  -0.08  -0.01
    17   1    -0.01   0.20   0.14    -0.00   0.13   0.09    -0.01   0.24   0.16
    18   1     0.17  -0.07   0.07     0.12  -0.05   0.05    -0.26   0.11  -0.09
    19   1    -0.10  -0.09   0.09    -0.05  -0.05   0.05     0.03   0.03  -0.02
    20   8    -0.03  -0.02  -0.00     0.04   0.03   0.01    -0.00  -0.00  -0.00
    21   1    -0.29   0.15  -0.36     0.34  -0.19   0.50    -0.01   0.01   0.00
    22   1    -0.27   0.02  -0.17     0.20   0.02   0.07     0.07  -0.02   0.07
    23   1    -0.01  -0.01   0.01    -0.01  -0.02   0.02    -0.05  -0.06   0.04
    24   1     0.09  -0.00   0.28    -0.15   0.00  -0.47     0.01  -0.00   0.02
                     52                     53                     54
                      A                      A                      A
 Frequencies --   1446.8126              1462.0526              1498.4877
 Red. masses --      1.6632                 1.6558                 1.0825
 Frc consts  --      2.0513                 2.0854                 1.4321
 IR Inten    --     21.3822                 5.8911                 5.2900
 RamAct Fr= 1--      2.5081                 4.3461                 6.2978
  Dep-P Fr= 1--      0.6863                 0.6230                 0.6730
  Dep-U Fr= 1--      0.8140                 0.7677                 0.8045
 Alpha2 Fr= 1--      0.0028                 0.0101                 0.0086
 Beta2  Fr= 1--      0.3403                 0.5561                 0.8445
 AlphaG Fr= 1--      0.0209                -0.0314                 0.0150
 Gamma2 Fr= 1--      0.2410                -0.0536                -0.2147
 Delta2 Fr= 1--     -0.5443                 0.7706                -0.4329
 Raman1 Fr= 1--      10.032                 17.385                 25.191
 ROA1   Fr= 1--       5.720                 19.517                -34.462
 CID1   Fr= 1--       0.570                  1.123                 -1.368
 Raman2 Fr= 1--       4.083                  6.673                 10.133
 ROA2   Fr= 1--      10.139                 -7.451                 -1.689
 CID2   Fr= 1--       2.483                 -1.117                 -0.167
 Raman3 Fr= 1--       8.166                 13.346                 20.267
 ROA3   Fr= 1--       5.720                 19.517                -34.462
 CID3   Fr= 1--       0.700                  1.462                 -1.700
 RC180  Fr= 1--       0.628                  0.535                  0.609
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.05   0.06   0.00     0.03  -0.00  -0.00    -0.00  -0.00   0.00
     2   6    -0.05  -0.05   0.00    -0.05   0.09   0.00     0.00   0.00  -0.00
     3   6     0.04  -0.16  -0.02    -0.02   0.02   0.01    -0.00   0.01   0.00
     4   6    -0.08   0.09   0.01     0.03  -0.02   0.00     0.01  -0.01  -0.00
     5   8     0.01  -0.01   0.00    -0.01   0.03  -0.00    -0.00  -0.00   0.00
     6   6     0.02  -0.01  -0.01     0.03  -0.19  -0.03     0.00   0.00   0.00
     7   8    -0.02  -0.01  -0.00    -0.01  -0.01  -0.00     0.00   0.00   0.00
     8   1    -0.17  -0.18   0.01    -0.10  -0.01   0.02     0.01   0.00  -0.00
     9   8    -0.00   0.01  -0.01     0.01  -0.01   0.00    -0.00  -0.00   0.00
    10   1     0.23   0.10  -0.01     0.18  -0.23  -0.06    -0.00  -0.00  -0.00
    11   1    -0.00   0.56   0.01     0.06  -0.06  -0.02    -0.01  -0.03   0.00
    12   8    -0.03   0.02   0.03     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    13   6     0.01  -0.00  -0.03    -0.01   0.00  -0.00     0.05   0.00  -0.06
    14   1     0.26  -0.30  -0.05    -0.07   0.04   0.02     0.03   0.02  -0.01
    15   8    -0.01   0.00   0.01    -0.02   0.02   0.05     0.00  -0.00  -0.00
    16   1    -0.05   0.09   0.00     0.02   0.77   0.02     0.00  -0.00   0.00
    17   1    -0.01   0.15   0.09    -0.00   0.06   0.04     0.00  -0.01  -0.00
    18   1     0.14  -0.05   0.05    -0.05   0.02  -0.03    -0.00   0.00  -0.00
    19   1     0.27   0.25  -0.23    -0.03  -0.03   0.03    -0.02  -0.02   0.01
    20   8    -0.00  -0.01  -0.00     0.00   0.00   0.00     0.00   0.00  -0.01
    21   1     0.00   0.02   0.02     0.04  -0.02   0.04    -0.27   0.41   0.53
    22   1     0.18  -0.08   0.19    -0.01   0.01  -0.01    -0.42  -0.42   0.35
    23   1     0.05   0.06  -0.05     0.25   0.30  -0.26    -0.00  -0.00   0.00
    24   1     0.02  -0.00   0.06    -0.01   0.00  -0.04     0.00   0.00  -0.02
                     55                     56                     57
                      A                      A                      A
 Frequencies --   2950.5863              2980.0899              2985.5961
 Red. masses --      1.0826                 1.0814                 1.0798
 Frc consts  --      5.5529                 5.6584                 5.6707
 IR Inten    --     33.2767                 5.7454                27.9298
 RamAct Fr= 1--     62.2561                23.3319               174.4198
  Dep-P Fr= 1--      0.1738                 0.0666                 0.2719
  Dep-U Fr= 1--      0.2962                 0.1249                 0.4276
 Alpha2 Fr= 1--      0.9054                 0.4430                 1.9426
 Beta2  Fr= 1--      3.0731                 0.4856                12.4292
 AlphaG Fr= 1--     -1.0618                -0.3984                 0.3112
 Gamma2 Fr= 1--     -6.4485                -1.8661                18.0648
 Delta2 Fr= 1--     -0.3768                -2.3123                16.0261
 Raman1 Fr= 1--     249.024                 93.327                697.679
 ROA1   Fr= 1--    -631.117               -253.141               2247.054
 CID1   Fr= 1--      -2.534                 -2.712                  3.221
 Raman2 Fr= 1--      36.878                  5.827                149.150
 ROA2   Fr= 1--    -151.751                -26.289                305.346
 CID2   Fr= 1--      -4.115                 -4.512                  2.047
 Raman3 Fr= 1--      73.755                 11.654                298.300
 ROA3   Fr= 1--    -631.117               -253.141               2247.054
 CID3   Fr= 1--      -8.557                -21.722                  7.533
 RC180  Fr= 1--      -0.408                 -0.750                 -0.145
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00   0.01    -0.01   0.01  -0.06    -0.01   0.01  -0.05
     2   6    -0.00  -0.00   0.01    -0.00  -0.00   0.01    -0.00  -0.00   0.01
     3   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.02
     4   6     0.00   0.00   0.00     0.01  -0.00   0.05    -0.01   0.00  -0.06
     5   8    -0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     6   6    -0.01   0.00  -0.08     0.00  -0.00  -0.01    -0.00   0.00  -0.01
     7   8    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     8   1    -0.03   0.02  -0.14     0.14  -0.11   0.73     0.11  -0.09   0.57
     9   8     0.00  -0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    10   1    -0.01   0.01  -0.09    -0.02   0.02  -0.14    -0.02   0.02  -0.13
    11   1     0.00   0.00   0.02    -0.00  -0.00  -0.02    -0.04   0.01  -0.21
    12   8    -0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    13   6     0.00  -0.00  -0.00     0.01  -0.01  -0.01    -0.01   0.01   0.01
    14   1    -0.01  -0.00  -0.05    -0.06   0.05  -0.60     0.07  -0.06   0.69
    15   8     0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    16   1     0.14  -0.06   0.97     0.00  -0.00   0.06     0.02  -0.01   0.12
    17   1    -0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    18   1    -0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    19   1     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
    20   8     0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    21   1    -0.00  -0.00  -0.00    -0.02  -0.04   0.01     0.03   0.06  -0.02
    22   1    -0.00   0.01   0.00    -0.05   0.15   0.09     0.08  -0.23  -0.15
    23   1     0.01   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    24   1     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
                     58                     59                     60
                      A                      A                      A
 Frequencies --   3005.4227              3018.0293              3032.1531
 Red. masses --      1.0737                 1.0838                 1.0849
 Frc consts  --      5.7139                 5.8165                 5.8768
 IR Inten    --     75.5388                11.5714                63.4932
 RamAct Fr= 1--    220.0845                11.0416                43.1272
  Dep-P Fr= 1--      0.0975                 0.2557                 0.1509
  Dep-U Fr= 1--      0.1777                 0.4073                 0.2623
 Alpha2 Fr= 1--      3.8767                 0.1288                 0.6651
 Beta2  Fr= 1--      6.5189                 0.7495                 1.8853
 AlphaG Fr= 1--      0.6707                 0.1789                -0.0438
 Gamma2 Fr= 1--     -8.7040                -1.4699                 1.6412
 Delta2 Fr= 1--    -11.7828                -2.3407                 0.1886
 Raman1 Fr= 1--     880.338                 44.166                172.509
 ROA1   Fr= 1--   -1212.630               -216.017                163.591
 CID1   Fr= 1--      -1.377                 -4.891                  0.948
 Raman2 Fr= 1--      78.227                  8.994                 22.624
 ROA2   Fr= 1--    -114.632                -16.553                 37.880
 CID2   Fr= 1--      -1.465                 -1.840                  1.674
 Raman3 Fr= 1--     156.454                 17.989                 45.248
 ROA3   Fr= 1--   -1212.630               -216.017                163.591
 CID3   Fr= 1--      -7.751                -12.008                  3.615
 RC180  Fr= 1--      -0.645                 -0.185                 -0.475
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00    -0.00   0.00  -0.01    -0.00   0.00  -0.02
     2   6    -0.00  -0.00   0.00    -0.01   0.01  -0.07    -0.00   0.00  -0.04
     3   6     0.00   0.00   0.01     0.01  -0.00   0.04    -0.02   0.00  -0.07
     4   6    -0.00  -0.00  -0.03     0.00  -0.00   0.01    -0.00   0.00  -0.01
     5   8     0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     6   6    -0.00   0.00  -0.00    -0.00   0.00  -0.01    -0.00   0.00  -0.01
     7   8     0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     8   1     0.01  -0.01   0.03     0.01  -0.02   0.08     0.04  -0.03   0.21
     9   8     0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    10   1    -0.00   0.00  -0.02     0.10  -0.11   0.86     0.05  -0.06   0.42
    11   1    -0.02   0.01  -0.09    -0.09   0.02  -0.44     0.18  -0.03   0.84
    12   8    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
    13   6     0.03  -0.05  -0.04    -0.00   0.00   0.00     0.00  -0.00  -0.00
    14   1     0.04  -0.03   0.33    -0.01   0.00  -0.07     0.01  -0.01   0.16
    15   8     0.00   0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    16   1     0.00  -0.00   0.02     0.01  -0.00   0.09     0.01  -0.00   0.06
    17   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
    18   1     0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
    19   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    20   8    -0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    21   1    -0.09  -0.15   0.04     0.00   0.00   0.00    -0.00  -0.00  -0.00
    22   1    -0.26   0.74   0.48     0.00  -0.01  -0.00    -0.01   0.02   0.01
    23   1    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    24   1     0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
                     61                     62                     63
                      A                      A                      A
 Frequencies --   3116.0083              3778.8962              3787.5715
 Red. masses --      1.0926                 1.0655                 1.0659
 Frc consts  --      6.2506                 8.9645                 9.0095
 IR Inten    --      9.6591                31.6783                44.1527
 RamAct Fr= 1--     76.0264                45.8870                63.5966
  Dep-P Fr= 1--      0.3421                 0.0989                 0.2318
  Dep-U Fr= 1--      0.5098                 0.1800                 0.3763
 Alpha2 Fr= 1--      0.6846                 0.8055                 0.7928
 Beta2  Fr= 1--      6.4600                 1.3768                 3.9887
 AlphaG Fr= 1--     -0.0687                -0.2138                -0.3858
 Gamma2 Fr= 1--      2.4362                -1.9766                -7.7272
 Delta2 Fr= 1--      0.5140                 0.1412                -0.4562
 Raman1 Fr= 1--     304.106                183.548                254.386
 ROA1   Fr= 1--     250.326               -185.235               -756.406
 CID1   Fr= 1--       0.823                 -1.009                 -2.973
 Raman2 Fr= 1--      77.520                 16.522                 47.864
 ROA2   Fr= 1--      54.358                -48.568               -181.803
 CID2   Fr= 1--       0.701                 -2.940                 -3.798
 Raman3 Fr= 1--     155.039                 33.044                 95.728
 ROA3   Fr= 1--     250.326               -185.235               -756.406
 CID3   Fr= 1--       1.615                 -5.606                 -7.902
 RC180  Fr= 1--       0.020                 -0.640                 -0.247
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
     2   6     0.00  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
     3   6    -0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
     4   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
     5   8     0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
     6   6     0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
     7   8    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.01   0.00  -0.00
     8   1    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
     9   8    -0.00   0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    10   1     0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
    11   1    -0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
    12   8     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.02  -0.05  -0.02
    13   6    -0.04  -0.08   0.01    -0.00  -0.00   0.00     0.00   0.00  -0.00
    14   1    -0.00   0.00  -0.01    -0.00  -0.00   0.00    -0.00   0.00   0.00
    15   8    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    16   1    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00   0.00   0.00
    17   1     0.00   0.00   0.00    -0.00   0.00  -0.00     0.17  -0.02   0.01
    18   1     0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.01  -0.01   0.00
    19   1     0.00   0.00   0.00    -0.01   0.02   0.01    -0.37   0.84   0.35
    20   8     0.00   0.00   0.00    -0.04  -0.04   0.02     0.00   0.00  -0.00
    21   1     0.57   0.77  -0.24     0.01   0.01  -0.00    -0.00  -0.00   0.00
    22   1    -0.06   0.13   0.09    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    23   1     0.00   0.00   0.00    -0.00   0.01   0.00    -0.00   0.01   0.01
    24   1    -0.01  -0.01  -0.00     0.63   0.71  -0.30    -0.01  -0.02   0.01
                     64                     65                     66
                      A                      A                      A
 Frequencies --   3789.3946              3794.9103              3797.2167
 Red. masses --      1.0659                 1.0660                 1.0660
 Frc consts  --      9.0177                 9.0447                 9.0556
 IR Inten    --     59.1007                42.0883                62.4870
 RamAct Fr= 1--    106.3000                72.3307               178.9294
  Dep-P Fr= 1--      0.1653                 0.3461                 0.1595
  Dep-U Fr= 1--      0.2837                 0.5142                 0.2751
 Alpha2 Fr= 1--      1.5803                 0.6431                 2.6999
 Beta2  Fr= 1--      5.0269                 6.1988                 8.2049
 AlphaG Fr= 1--      0.4410                -0.4216                 1.1619
 Gamma2 Fr= 1--      8.8746               -18.5255                19.8753
 Delta2 Fr= 1--      1.0326                -6.8697                 6.9949
 Raman1 Fr= 1--     425.200                289.323                715.718
 ROA1   Fr= 1--     885.004              -1998.277               2131.867
 CID1   Fr= 1--       2.081                 -6.907                  2.979
 Raman2 Fr= 1--      60.322                 74.385                 98.458
 ROA2   Fr= 1--     204.730               -389.654                421.049
 CID2   Fr= 1--       3.394                 -5.238                  4.276
 Raman3 Fr= 1--     120.645                148.771                196.917
 ROA3   Fr= 1--     885.004              -1998.277               2131.867
 CID3   Fr= 1--       7.336                -13.432                 10.826
 RC180  Fr= 1--      -0.433                  0.028                 -0.450
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
     2   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     3   6     0.00   0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     4   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
     5   8    -0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
     6   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
     7   8    -0.06   0.01  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     8   1     0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
     9   8     0.00   0.00  -0.00    -0.03  -0.05   0.02    -0.01  -0.01   0.01
    10   1    -0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
    11   1     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    12   8    -0.00   0.01   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    13   6    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    14   1    -0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    15   8     0.00  -0.00  -0.00    -0.00   0.01   0.01     0.02  -0.05  -0.03
    16   1     0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    17   1     0.97  -0.09   0.07     0.07  -0.01   0.01     0.01  -0.00   0.00
    18   1    -0.04  -0.06   0.02     0.49   0.76  -0.29     0.15   0.24  -0.09
    19   1     0.07  -0.15  -0.06    -0.00   0.00   0.00     0.00  -0.01  -0.00
    20   8    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    21   1     0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    22   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    23   1    -0.00   0.01   0.01     0.08  -0.24  -0.15    -0.26   0.77   0.49
    24   1     0.00   0.01  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  8 and mass  15.99491
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  8 and mass  15.99491
 Atom     8 has atomic number  1 and mass   1.00783
 Atom     9 has atomic number  8 and mass  15.99491
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  8 and mass  15.99491
 Atom    13 has atomic number  6 and mass  12.00000
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  8 and mass  15.99491
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Atom    20 has atomic number  8 and mass  15.99491
 Atom    21 has atomic number  1 and mass   1.00783
 Atom    22 has atomic number  1 and mass   1.00783
 Atom    23 has atomic number  1 and mass   1.00783
 Atom    24 has atomic number  1 and mass   1.00783
 Molecular mass:   180.06339 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --  1539.979562209.021433379.13667
           X            0.99996  -0.00748  -0.00581
           Y            0.00752   0.99995   0.00600
           Z            0.00577  -0.00604   0.99997
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.05624     0.03921     0.02563
 Rotational constants (GHZ):           1.17193     0.81699     0.53408
 Zero-point vibrational energy     516772.4 (Joules/Mol)
                                  123.51156 (Kcal/Mol)
 Warning -- explicit consideration of  21 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:    102.16   132.30   170.74   202.28   332.83
          (Kelvin)            347.77   364.26   384.48   410.92   431.66
                              480.43   529.00   548.02   554.41   584.99
                              605.18   614.75   655.61   744.67   817.07
                              853.52   907.17  1034.89  1309.83  1327.23
                             1459.46  1473.01  1495.11  1531.74  1546.74
                             1561.27  1583.52  1600.10  1612.98  1622.41
                             1660.65  1735.24  1784.70  1792.72  1800.02
                             1811.43  1908.44  1917.84  1937.17  1947.16
                             1964.48  1990.76  2005.02  2046.01  2055.44
                             2073.36  2081.64  2103.57  2155.99  4245.24
                             4287.68  4295.61  4324.13  4342.27  4362.59
                             4483.24  5436.99  5449.47  5452.09  5460.03
                             5463.35
 
 Zero-point correction=                           0.196828 (Hartree/Particle)
 Thermal correction to Energy=                    0.209257
 Thermal correction to Enthalpy=                  0.210202
 Thermal correction to Gibbs Free Energy=         0.159173
 Sum of electronic and zero-point Energies=           -687.313648
 Sum of electronic and thermal Energies=              -687.301219
 Sum of electronic and thermal Enthalpies=            -687.300275
 Sum of electronic and thermal Free Energies=         -687.351304
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  131.311             47.599            107.399
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             41.471
 Rotational               0.889              2.981             30.820
 Vibrational            129.534             41.637             35.108
 Vibration     1          0.598              1.968              4.125
 Vibration     2          0.602              1.955              3.618
 Vibration     3          0.609              1.934              3.122
 Vibration     4          0.615              1.913              2.796
 Vibration     5          0.653              1.793              1.869
 Vibration     6          0.658              1.776              1.790
 Vibration     7          0.664              1.757              1.708
 Vibration     8          0.672              1.733              1.614
 Vibration     9          0.683              1.700              1.500
 Vibration    10          0.693              1.674              1.417
 Vibration    11          0.715              1.608              1.241
 Vibration    12          0.740              1.539              1.089
 Vibration    13          0.751              1.511              1.036
 Vibration    14          0.754              1.501              1.018
 Vibration    15          0.771              1.456              0.939
 Vibration    16          0.783              1.425              0.890
 Vibration    17          0.789              1.411              0.868
 Vibration    18          0.814              1.348              0.779
 Vibration    19          0.873              1.211              0.616
 Vibration    20          0.924              1.101              0.508
 Vibration    21          0.951              1.046              0.461
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.610517D-73        -73.214302       -168.582161
 Total V=0       0.209075D+18         17.320303         39.881472
 Vib (Bot)       0.529663D-87        -87.276000       -200.960417
 Vib (Bot)    1  0.290413D+01          0.463017          1.066135
 Vib (Bot)    2  0.223513D+01          0.349303          0.804301
 Vib (Bot)    3  0.172254D+01          0.236169          0.543800
 Vib (Bot)    4  0.144603D+01          0.160176          0.368818
 Vib (Bot)    5  0.850913D+00         -0.070115         -0.161445
 Vib (Bot)    6  0.810569D+00         -0.091210         -0.210019
 Vib (Bot)    7  0.769738D+00         -0.113657         -0.261705
 Vib (Bot)    8  0.724230D+00         -0.140124         -0.322647
 Vib (Bot)    9  0.671164D+00         -0.173171         -0.398741
 Vib (Bot)   10  0.633872D+00         -0.197998         -0.455908
 Vib (Bot)   11  0.558214D+00         -0.253199         -0.583012
 Vib (Bot)   12  0.495954D+00         -0.304559         -0.701272
 Vib (Bot)   13  0.474394D+00         -0.323861         -0.745717
 Vib (Bot)   14  0.467460D+00         -0.330255         -0.760441
 Vib (Bot)   15  0.436244D+00         -0.360270         -0.829553
 Vib (Bot)   16  0.417253D+00         -0.379601         -0.874063
 Vib (Bot)   17  0.408662D+00         -0.388635         -0.894866
 Vib (Bot)   18  0.374603D+00         -0.426429         -0.981890
 Vib (Bot)   19  0.312561D+00         -0.505065         -1.162956
 Vib (Bot)   20  0.271577D+00         -0.566107         -1.303509
 Vib (Bot)   21  0.253457D+00         -0.596095         -1.372560
 Vib (V=0)       0.181387D+04          3.258605          7.503216
 Vib (V=0)    1  0.344686D+01          0.537424          1.237464
 Vib (V=0)    2  0.279038D+01          0.445663          1.026176
 Vib (V=0)    3  0.229364D+01          0.360525          0.830140
 Vib (V=0)    4  0.203003D+01          0.307502          0.708050
 Vib (V=0)    5  0.148694D+01          0.172294          0.396721
 Vib (V=0)    6  0.145238D+01          0.162079          0.373202
 Vib (V=0)    7  0.141788D+01          0.151638          0.349160
 Vib (V=0)    8  0.138006D+01          0.139899          0.322128
 Vib (V=0)    9  0.133694D+01          0.126111          0.290380
 Vib (V=0)   10  0.130734D+01          0.116388          0.267993
 Vib (V=0)   11  0.124940D+01          0.096702          0.222665
 Vib (V=0)   12  0.120425D+01          0.080717          0.185858
 Vib (V=0)   13  0.118924D+01          0.075269          0.173313
 Vib (V=0)   14  0.118448D+01          0.073529          0.169308
 Vib (V=0)   15  0.116356D+01          0.065788          0.151482
 Vib (V=0)   16  0.115123D+01          0.061162          0.140831
 Vib (V=0)   17  0.114576D+01          0.059093          0.136067
 Vib (V=0)   18  0.112476D+01          0.051060          0.117571
 Vib (V=0)   19  0.108966D+01          0.037289          0.085862
 Vib (V=0)   20  0.106899D+01          0.028975          0.066718
 Vib (V=0)   21  0.106057D+01          0.025540          0.058808
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.949712D+08          7.977592         18.369084
 Rotational      0.121368D+07          6.084106         14.009172
 
                                                          ROA calculations.
                                                             IR Spectrum
 
  33333                     3333222                                    11111111111111111111111111111                                 
  77777                     1000999                                    44444433333332222211111000000 99    7655544443333322222 11    
  99887                     1310885                                    96442298654325544052210876321 21    1396152208863086543 4197  
  75989                     6285601                                    82719244536369160648121555944 20    9138867175184067321 1921  
 
  XXXXX                     XXXXXXX                                    XXXXXXXXXXXXXXXXXXXXXXXXXXXXX XX    XXXXXXXXXXXXXXXXXXX XXXX  
  XXXXX                      X XX X                                      X XX X XXXXXXXX XXXXXXXXXXX  X     XX XXXXXXXXX X   X       
  XXXXX                      X XX X                                      X  X   XXXX XXX XXXXXXX XXX  X     XX X  XXXXXX X           
  XXXXX                      X X  X                                             XXX  X X XXXXXXX XXX  X     X  X  XXXXXX X           
  XXXX                       X X                                                X X    X  XXXXXX  XX              XXXXX  X           
  X X                        X X                                                X      X   XXXXX  XX              XXXXX  X           
  X X                        X X                                                            XXXX   X               XXXX  X           
                             X X                                                            XXXX   X               XXXX  X           
                               X                                                            XXXX   X               XX X              
                                                                                            XXXX   X               XX X              
                                                                                             XXX   X               XX X              
                                                                                             XXX   X               XX                
                                                                                             XXX                   XX                
                                                                                             XXX                   XX                
                                                                                             XXX                    X                
                                                                                             XXX                    X                
                                                                                             XXX                    X                
                                                                                             XXX                                     
                                                                                             X                                       
                                                                                             X                                       
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000000427   -0.000005974    0.000000246
      2        6           0.000001435    0.000003347    0.000001922
      3        6          -0.000002315   -0.000004778    0.000000377
      4        6          -0.000007077   -0.000005660    0.000000684
      5        8          -0.000003232    0.000004797    0.000002187
      6        6           0.000003325   -0.000001816    0.000002587
      7        8          -0.000000317    0.000006191    0.000000845
      8        1           0.000000967    0.000000416   -0.000000981
      9        8          -0.000001308    0.000004477   -0.000001316
     10        1          -0.000000313   -0.000000594   -0.000000112
     11        1          -0.000000451    0.000000481   -0.000000593
     12        8           0.000000582    0.000003043   -0.000001642
     13        6           0.000001067   -0.000003272    0.000006309
     14        1           0.000002480    0.000001814   -0.000001785
     15        8           0.000001273   -0.000002177   -0.000002997
     16        1           0.000000990   -0.000000729   -0.000000884
     17        1          -0.000001005   -0.000000969   -0.000000086
     18        1           0.000003652   -0.000000538   -0.000000953
     19        1           0.000001521   -0.000000267    0.000001483
     20        8          -0.000003878    0.000005937   -0.000003553
     21        1           0.000000870   -0.000000787    0.000003993
     22        1          -0.000002182   -0.000000231   -0.000000667
     23        1           0.000000034   -0.000002845   -0.000000498
     24        1           0.000004310    0.000000136   -0.000004564
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000007077 RMS     0.000002732
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.110689D+03  0.120037D+01 -0.179842D+01
      2   0.120037D+01  0.103930D+03  0.140199D+00
      3  -0.179842D+01  0.140199D+00  0.868762D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.192307D+01 -0.859081D+01 -0.128434D+01
      2   0.120368D+02 -0.358763D+01  0.142970D+02
      3   0.264842D+01 -0.735284D+01  0.182586D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.181606D+02 -0.132224D+02  0.123626D+02
      2  -0.218164D+02  0.110423D+02  0.883545D+01
      3   0.365573D+01  0.218008D+01 -0.211981D+02
      4  -0.147220D+02 -0.106993D+02 -0.114431D+02
      5  -0.860204D+01 -0.104705D+02  0.286751D+02
      6  -0.829225D+01 -0.107024D+02 -0.569384D+01
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    72 ND12= 1 LenFil=    2595:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.370143D+01  0.333893D+00  0.212633D+00 -0.441742D+00  0.271433D+01
      2   0.333893D+00  0.347685D+01  0.232502D+00  0.271433D+01 -0.141153D+01
      3   0.212633D+00  0.232502D+00  0.105268D+01  0.535595D+00 -0.134783D+01
                 6             7             8             9            10 
      1   0.535595D+00 -0.425187D+00  0.509843D+00  0.131602D+01  0.470122D+01
      2  -0.134783D+01  0.509843D+00 -0.281650D+01 -0.128774D+01 -0.723020D+00
      3  -0.463641D+00  0.131602D+01 -0.128774D+01  0.779588D+01  0.365007D-03
                11            12            13            14            15 
      1  -0.723020D+00  0.365007D-03 -0.941298D+00 -0.268899D+01 -0.228849D+00
      2  -0.261973D+01 -0.149768D+00 -0.268899D+01 -0.635068D+00  0.747661D+00
      3  -0.149768D+00 -0.249999D+01 -0.228849D+00  0.747661D+00  0.167915D+01
                16            17            18            19            20 
      1   0.106808D+01 -0.368845D+00 -0.163168D+01  0.297266D+01 -0.276633D+00
      2  -0.368845D+00  0.176532D+01  0.935619D+00 -0.276633D+00 -0.292263D+01
      3  -0.163168D+01  0.935619D+00 -0.745830D+01 -0.381377D-01  0.462990D+00
                21            22            23            24            25 
      1  -0.381377D-01 -0.775704D+00 -0.373451D+01  0.207579D+00  0.687876D+00
      2   0.462990D+00 -0.373451D+01  0.827269D+00  0.146643D+01  0.680589D+00
      3  -0.986029D+00  0.207579D+00  0.146643D+01  0.140743D+01 -0.152418D+01
                26            27            28            29            30 
      1   0.680589D+00 -0.152418D+01 -0.147151D+01  0.222786D+01 -0.542373D+00
      2   0.231397D+01  0.109112D+01  0.222786D+01  0.273508D+01 -0.145696D+00
      3   0.109112D+01 -0.720430D+01 -0.542373D+00 -0.145696D+00  0.408436D+00
                31            32            33            34            35 
      1   0.247900D+01  0.380803D+01  0.850987D+00 -0.210043D+01  0.437918D+00
      2   0.380803D+01 -0.112794D+01 -0.169862D+01  0.437918D+00 -0.241172D+01
      3   0.850987D+00 -0.169862D+01 -0.175799D+01  0.425563D+00 -0.681326D+00
                36            37            38            39            40 
      1   0.425563D+00  0.531595D+01 -0.176532D+01 -0.206716D+00 -0.336178D+01
      2  -0.681326D+00 -0.176532D+01 -0.970394D-01 -0.316243D+00 -0.100897D+01
      3   0.717374D+01 -0.206716D+00 -0.316243D+00 -0.447455D+00 -0.325949D+00
                41            42            43            44            45 
      1  -0.100897D+01 -0.325949D+00  0.234776D+01  0.498409D+00  0.195816D+00
      2  -0.354469D+01  0.714630D+00  0.498409D+00  0.149915D+01 -0.382616D+00
      3   0.714630D+00  0.807024D+00  0.195816D+00 -0.382616D+00 -0.886389D+00
                46            47            48            49            50 
      1  -0.497804D+01 -0.649569D+00  0.223307D+00  0.140013D+01  0.254314D+01
      2  -0.649569D+00  0.872017D+00  0.533281D+00  0.254314D+01 -0.108600D+01
      3   0.223307D+00  0.533281D+00  0.155427D+01 -0.185986D+00 -0.102939D+01
                51            52            53            54            55 
      1  -0.185986D+00 -0.941761D+00 -0.104646D+00  0.167243D+01  0.548644D+01
      2  -0.102939D+01 -0.104646D+00 -0.194504D+01 -0.925906D+00 -0.329742D+00
      3  -0.215244D+01  0.167243D+01 -0.925906D+00  0.733634D+01  0.355388D+00
                56            57            58            59            60 
      1  -0.329742D+00  0.355388D+00  0.824129D+00 -0.138590D+01 -0.361025D+00
      2   0.718271D+00  0.306241D+00 -0.138590D+01  0.659772D+01  0.176951D+01
      3   0.306241D+00  0.544215D+00 -0.361025D+00  0.176951D+01  0.195587D+00
                61            62            63            64            65 
      1   0.134363D+01 -0.873897D+00 -0.624463D+00 -0.134195D+00  0.791262D-01
      2  -0.873897D+00  0.298126D+01  0.187183D+01  0.791262D-01 -0.921348D+00
      3  -0.624463D+00  0.187183D+01  0.652518D+00 -0.115070D+01  0.128867D+00
                66            67            68            69            70 
      1  -0.115070D+01  0.265148D+00 -0.740136D+00  0.115864D+00 -0.199313D+01
      2   0.128867D+00 -0.740136D+00  0.773937D+00 -0.106474D+01  0.330905D+00
      3  -0.854898D+00  0.115864D+00 -0.106474D+01  0.702411D+00 -0.973072D+00
                71            72            73            74            75 
      1   0.330905D+00 -0.973072D+00 -0.646880D+01  0.245466D+01 -0.242977D+00
      2  -0.180429D+01  0.101082D+01  0.245466D+01  0.102753D+01 -0.530223D+00
      3   0.101082D+01 -0.718530D+01 -0.242977D+00 -0.530223D+00  0.816004D+00
                76            77            78            79            80 
      1   0.535347D+01  0.676934D+00 -0.693012D+00 -0.269750D+01 -0.661047D+00
      2   0.676934D+00  0.366787D+01 -0.939667D+00 -0.661047D+00 -0.140706D+01
      3  -0.693012D+00 -0.939667D+00  0.627913D+00 -0.736490D+00  0.433343D+00
                81            82            83            84            85 
      1  -0.736490D+00 -0.705648D-01  0.285180D-01  0.115627D+01 -0.166020D+00
      2   0.433343D+00  0.285180D-01  0.597902D+00 -0.130515D-01  0.588846D+00
      3   0.169683D-01  0.115627D+01 -0.130515D-01  0.792518D+00 -0.340470D-01
                86            87            88            89            90 
      1   0.588846D+00 -0.340470D-01  0.197769D+01  0.113427D+00  0.125397D+00
      2  -0.433329D+00  0.904197D+00  0.113427D+00  0.153335D+01 -0.636113D+00
      3   0.904197D+00 -0.928708D+00  0.125397D+00 -0.636113D+00  0.769629D+01
                91            92            93            94            95 
      1   0.483972D+00 -0.238744D+00  0.113717D+01 -0.452008D-01  0.992174D+00
      2  -0.238744D+00  0.102257D+01  0.342816D-01  0.992174D+00 -0.316065D+00
      3   0.113717D+01  0.342816D-01  0.713587D+00  0.559419D-01  0.859303D+00
                96            97            98            99           100 
      1   0.559419D-01  0.218476D+01 -0.234164D+00  0.116671D+01  0.389055D+01
      2   0.859303D+00 -0.234164D+00  0.174166D+01 -0.610704D-01  0.189432D+01
      3  -0.877236D-01  0.116671D+01 -0.610704D-01  0.678783D+01 -0.114672D+01
               101           102           103           104           105 
      1   0.189432D+01 -0.114672D+01  0.768453D+00  0.341510D+01 -0.711903D-01
      2   0.437296D+01 -0.887436D-01  0.341510D+01 -0.114008D+01 -0.176723D+01
      3  -0.887436D-01  0.639692D+00 -0.711903D-01 -0.176723D+01 -0.868282D+00
               106           107           108           109           110 
      1  -0.169336D+01 -0.696616D+00  0.142940D+01  0.243804D+01 -0.216497D+01
      2  -0.696616D+00 -0.369890D+01  0.691416D+00 -0.216497D+01 -0.240499D+01
      3   0.142940D+01  0.691416D+00 -0.550334D+00  0.156347D+01 -0.201665D+00
               111           112           113           114           115 
      1   0.156347D+01 -0.166722D+01 -0.429315D+01 -0.650079D+00  0.287033D+01
      2  -0.201665D+00 -0.429315D+01  0.102126D+01  0.376311D+01 -0.907535D+00
      3  -0.779646D+00 -0.650079D+00  0.376311D+01  0.210193D+01 -0.334313D+01
               116           117           118           119           120 
      1  -0.907535D+00 -0.334313D+01  0.412772D+00 -0.148468D+00 -0.140011D+01
      2   0.386889D+01  0.267804D+01 -0.148468D+00 -0.437395D+00  0.684886D-01
      3   0.267804D+01 -0.604939D+00 -0.140011D+01  0.684886D-01 -0.200455D+00
               121           122           123           124           125 
      1  -0.123595D+00 -0.418440D+00 -0.236640D+00 -0.199284D+01 -0.282779D+00
      2  -0.418440D+00  0.609063D+00 -0.106713D+01 -0.282779D+00 -0.136109D+01
      3  -0.236640D+00 -0.106713D+01  0.552334D+00  0.549378D+00  0.391490D+00
               126           127           128           129           130 
      1   0.549378D+00 -0.249866D+01 -0.188172D+01  0.913708D+00 -0.153613D+01
      2   0.391490D+00 -0.188172D+01 -0.345279D+01 -0.224485D+00 -0.241434D+01
      3  -0.847411D+01  0.913708D+00 -0.224485D+00 -0.373134D+00 -0.625056D-01
               131           132           133           134           135 
      1  -0.241434D+01 -0.625056D-01  0.205078D+01  0.666152D+00 -0.110679D+01
      2   0.296538D+01  0.257073D+01  0.666152D+00  0.551211D+01 -0.228379D-02
      3   0.257073D+01  0.110224D+01 -0.110679D+01 -0.228379D-02  0.111659D+01
               136           137           138           139           140 
      1  -0.470506D+00 -0.474253D-01 -0.140163D+01 -0.225465D-01 -0.625300D+00
      2  -0.474253D-01 -0.335335D+00 -0.316064D+00 -0.625300D+00  0.132514D+00
      3  -0.140163D+01 -0.316064D+00 -0.932382D+00  0.660912D-01 -0.942492D+00
               141           142           143           144           145 
      1   0.660912D-01 -0.244941D+01 -0.560830D+00 -0.151109D+01 -0.771587D+01
      2  -0.942492D+00 -0.560830D+00 -0.149973D+01 -0.408848D+00  0.297207D+01
      3   0.451638D+00 -0.151109D+01 -0.408848D+00 -0.776792D+01  0.693345D+00
               146           147           148           149           150 
      1   0.297207D+01  0.693345D+00  0.155122D+01 -0.132439D+01 -0.137052D+00
      2  -0.327015D+01 -0.624301D+00 -0.132439D+01  0.143654D+01  0.276715D-01
      3  -0.624301D+00 -0.118688D+01 -0.137052D+00  0.276715D-01  0.476063D+00
               151           152           153           154           155 
      1  -0.134151D+00  0.950580D-02 -0.730404D+00 -0.530453D+01 -0.239450D+01
      2   0.950580D-02 -0.173694D+00  0.551082D+00 -0.239450D+01 -0.222548D+01
      3  -0.730404D+00  0.551082D+00  0.489606D+00  0.742438D+00  0.463128D+00
               156           157           158           159           160 
      1   0.742438D+00 -0.467553D+01 -0.267315D+01  0.685197D+00  0.167449D+01
      2   0.463128D+00 -0.267315D+01 -0.330423D+01  0.702657D+00  0.873811D+00
      3  -0.106716D+01  0.685197D+00  0.702657D+00 -0.855696D+00 -0.122512D+01
               161           162           163           164           165 
      1   0.873811D+00 -0.122512D+01 -0.652383D+00  0.707934D+00  0.331686D+00
      2   0.105852D+01 -0.623460D+00  0.707934D+00 -0.190016D+01 -0.888697D-01
      3  -0.623460D+00  0.536943D+00  0.331686D+00 -0.888697D-01 -0.244874D+00
               166           167           168           169           170 
      1   0.162099D+01  0.610377D-01 -0.207233D+00  0.645374D+00  0.193338D-01
      2   0.610377D-01  0.831397D+01  0.746107D+00  0.193338D-01  0.205435D+01
      3  -0.207233D+00  0.746107D+00  0.133334D+01 -0.593504D-01  0.110905D+01
               171           172           173           174           175 
      1  -0.593504D-01  0.368132D+01  0.829171D+00  0.164453D+01  0.182133D+01
      2   0.110905D+01  0.829171D+00  0.194746D+01 -0.114178D+01  0.188783D+01
      3   0.226489D+00  0.164453D+01 -0.114178D+01  0.226664D+01 -0.528747D+00
               176           177           178           179           180 
      1   0.188783D+01 -0.528747D+00  0.134784D+01 -0.686018D+00  0.347843D+01
      2   0.173984D+01  0.650545D-01 -0.686018D+00 -0.634873D+00 -0.854362D+00
      3   0.650545D-01  0.136230D+01  0.347843D+01 -0.854362D+00  0.356371D+01
               181           182           183           184           185 
      1   0.434177D+01  0.230530D+01 -0.112775D+01  0.394936D+01  0.240917D+01
      2   0.230530D+01  0.193287D+01 -0.385167D+00  0.240917D+01  0.346431D+01
      3  -0.112775D+01 -0.385167D+00  0.108004D+01 -0.595599D+00 -0.135516D+01
               186           187           188           189           190 
      1  -0.595599D+00 -0.151623D+01 -0.364870D+00  0.142845D+01  0.210027D+01
      2  -0.135516D+01 -0.364870D+00 -0.108478D+01  0.759535D+00 -0.147299D+01
      3   0.109899D+01  0.142845D+01  0.759535D+00 -0.801328D+00 -0.158635D+01
               191           192           193           194           195 
      1  -0.147299D+01 -0.158635D+01 -0.287562D+01  0.318947D+01  0.141524D+01
      2   0.144185D+01  0.674641D+00  0.318947D+01 -0.517942D+01 -0.287190D+01
      3   0.674641D+00  0.105548D+01  0.141524D+01 -0.287190D+01 -0.313456D+01
               196           197           198           199           200 
      1  -0.232749D+01  0.137846D+01  0.199252D+01 -0.211450D+00 -0.788436D+00
      2   0.137846D+01 -0.252642D+01 -0.257933D+01 -0.788436D+00  0.200357D+01
      3   0.199252D+01 -0.257933D+01 -0.358644D+01 -0.331468D+00  0.404616D+00
               201           202           203           204           205 
      1  -0.331468D+00 -0.124367D+01 -0.257344D+00  0.140223D+00 -0.705346D+00
      2   0.404616D+00 -0.257344D+00 -0.102007D+02 -0.189512D+01 -0.111155D+00
      3   0.225219D+00  0.140223D+00 -0.189512D+01 -0.161128D+01 -0.751754D-02
               206           207           208           209           210 
      1  -0.111155D+00 -0.751754D-02 -0.214703D+01 -0.951311D+00  0.200639D+00
      2  -0.443290D+01 -0.201880D+01 -0.951311D+00 -0.156188D+01  0.917017D+00
      3  -0.201880D+01 -0.105015D+01  0.200639D+00  0.917017D+00 -0.157588D+01
               211           212           213           214           215 
      1  -0.215717D+01 -0.721434D+00  0.245200D+00  0.778207D+00  0.334052D+00
      2  -0.721434D+00 -0.317060D+01  0.164221D+01  0.334052D+00  0.146840D+01
      3   0.245200D+00  0.164221D+01 -0.203803D+01 -0.306806D+00 -0.106149D+01
               216 
      1  -0.306806D+00
      2  -0.106149D+01
      3   0.217661D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.524295D-01  0.300467D+00 -0.230817D+01 -0.789541D+00  0.568076D+00
      2  -0.308703D+00 -0.280865D+00 -0.318671D+00  0.624105D+00  0.169757D+01
      3  -0.236391D+01 -0.303623D+00  0.212112D-01  0.444287D+01  0.164600D+01
                 6             7             8             9            10 
      1   0.130652D+01 -0.124748D+01  0.436048D+01 -0.720467D+01 -0.525872D+00
      2   0.131624D+01 -0.398060D+01  0.441309D+00 -0.515435D+01 -0.189463D+01
      3  -0.364103D+00  0.875600D-01 -0.189671D+01  0.295902D+00 -0.222676D+01
                11            12            13            14            15 
      1  -0.145843D+01 -0.674568D+00  0.380082D+00  0.168566D+00 -0.193996D+01
      2  -0.814529D+00  0.258790D+01 -0.192952D+00 -0.138263D+01 -0.296618D+01
      3  -0.539688D+01 -0.123619D+00  0.439449D+00 -0.517933D-01  0.146543D+01
                16            17            18            19            20 
      1  -0.102803D+01  0.428828D+01 -0.134368D+01  0.125917D+00 -0.353501D+00
      2  -0.121536D+01 -0.136430D+01  0.104607D+02 -0.302904D+00  0.838085D+00
      3  -0.435923D+00  0.237585D+01  0.199228D+01  0.294464D+01 -0.694607D+00
                21            22            23            24            25 
      1   0.280684D+01 -0.289718D+00 -0.192399D+01 -0.196387D+01  0.261858D+01
      2   0.102076D+01 -0.102151D+01  0.723326D+00 -0.548775D+00 -0.479907D+01
      3  -0.352824D+00  0.459237D+01 -0.497614D+01 -0.222311D+01 -0.100552D+00
                26            27            28            29            30 
      1   0.202402D+01  0.618240D+01 -0.214510D+01 -0.864709D+00  0.108810D+01
      2   0.483256D+00 -0.321735D+01 -0.649054D+01  0.361492D+01 -0.839177D+00
      3  -0.110686D+01 -0.270401D+01 -0.714310D+01 -0.896453D+01 -0.647951D+00
                31            32            33            34            35 
      1  -0.812780D+00  0.156448D+00  0.204592D+01  0.155936D+00  0.408256D+01
      2   0.241753D+01 -0.114586D+01 -0.379873D+01 -0.494883D+01  0.294460D+00
      3  -0.591845D+01  0.113706D+01  0.339807D+01  0.211168D+00  0.329628D+01
                36            37            38            39            40 
      1  -0.587536D+00  0.150844D+01  0.893633D-01 -0.182144D+01  0.137670D+01
      2   0.113286D+02  0.344293D+01 -0.840000D+00  0.947778D+01 -0.202753D+01
      3   0.184723D+01 -0.761835D+01 -0.404983D+01  0.146825D+00  0.151558D+02
                41            42            43            44            45 
      1   0.254185D+01 -0.585203D+01  0.204534D+01  0.229260D+01  0.729141D+00
      2  -0.117817D+01  0.176949D+01 -0.483421D+01 -0.131783D+01  0.147780D+00
      3   0.544710D+01 -0.310390D+00 -0.279336D+01 -0.132877D+01 -0.329988D+00
                46            47            48            49            50 
      1   0.653813D+00 -0.874934D+00  0.233496D+01 -0.974152D+00 -0.325518D+01
      2  -0.307739D+01 -0.127875D+01 -0.609609D+01 -0.753841D-01  0.241728D+01
      3   0.587292D+01  0.400784D+01 -0.196381D+00  0.184775D+01 -0.157859D+01
                51            52            53            54            55 
      1  -0.520797D+00  0.196897D+00  0.119675D+01  0.804799D+01 -0.894128D+00
      2   0.167307D+01 -0.655511D+01 -0.567664D+00 -0.921279D+01 -0.593008D+01
      3  -0.180418D+01  0.832292D+00 -0.137958D+01 -0.342888D+01  0.177053D+02
                56            57            58            59            60 
      1   0.355118D+00 -0.421184D+00  0.182618D+01 -0.225198D+01 -0.620965D+01
      2   0.246602D+01  0.184115D+01  0.606536D+00 -0.258055D+01 -0.164426D+01
      3  -0.315554D+01 -0.228018D+00  0.552367D+01  0.661678D+01  0.835813D+00
                61            62            63            64            65 
      1   0.447395D+00  0.772081D+00 -0.286101D+01  0.121329D+01  0.297574D+00
      2  -0.352484D+01 -0.146572D+01 -0.138217D+01  0.102853D+01 -0.447036D+00
      3   0.313549D+01  0.277093D+01  0.110484D+01 -0.804522D-01 -0.174460D+01
                66            67            68            69            70 
      1   0.714476D+00 -0.225607D-01  0.146399D+01 -0.120705D+01  0.798918D+00
      2   0.182307D+01 -0.263196D-01  0.529179D+00 -0.213534D+00 -0.304812D+01
      3  -0.103406D+01  0.854352D+00 -0.276029D+00 -0.791063D+00 -0.258392D+01
                71            72            73            74            75 
      1   0.326706D+01  0.891985D+01  0.615396D+00 -0.130871D+00  0.599757D+00
      2  -0.431594D+00  0.632576D+01  0.462980D+01  0.234011D+01  0.451159D+01
      3  -0.166862D+01 -0.911747D-01  0.104625D+02 -0.212921D+01 -0.244728D+01
                76            77            78            79            80 
      1  -0.128436D+01  0.110062D+01 -0.177466D+01  0.960892D+00  0.268602D+01
      2   0.219716D+01  0.284469D+01 -0.323949D+01 -0.215067D+01 -0.178895D+01
      3   0.795057D+01  0.167395D+02 -0.292567D+01 -0.238647D+01 -0.559383D+01
                81            82            83            84            85 
      1  -0.433336D-01  0.267001D+00  0.862847D+00  0.259915D+00  0.573305D+00
      2   0.218959D+01 -0.302822D+01  0.908533D-01 -0.114589D+01  0.576284D+00
      3   0.138665D+01  0.105919D-01 -0.704808D-01 -0.237183D+00  0.174341D+01
                86            87            88            89            90 
      1  -0.245695D+00 -0.137481D+01  0.189422D+00  0.351490D+01  0.102143D+01
      2  -0.156895D+01  0.136231D+01 -0.453778D+01  0.749869D+00 -0.113997D+02
      3  -0.578137D+00  0.130328D+01 -0.453650D+00  0.214531D+01 -0.492665D+00
                91            92            93            94            95 
      1  -0.190811D+01  0.829367D+00 -0.100686D+01  0.437869D+00 -0.147415D+01
      2   0.130966D+00  0.698511D+00  0.501136D+00  0.105708D+01  0.857297D-02
      3   0.120845D+01 -0.207410D+01  0.121591D+01  0.188801D+00  0.948812D+00
                96            97            98            99           100 
      1  -0.131339D+00 -0.197201D+01  0.388944D+01 -0.741730D+01  0.216194D+01
      2   0.133455D+00 -0.353968D+01  0.402715D+00  0.392961D+01 -0.223366D+00
      3  -0.561620D+00  0.259487D+01 -0.185736D+01  0.128123D+01  0.811274D+01
               101           102           103           104           105 
      1  -0.200996D+01 -0.357626D+01 -0.649200D+00  0.743995D+01 -0.142064D+01
      2  -0.362404D+00  0.440092D+01  0.934738D+00 -0.121651D+01  0.112228D+01
      3  -0.100391D+02 -0.235021D+01 -0.226342D+00  0.104978D+02  0.300156D+01
               106           107           108           109           110 
      1  -0.253736D+01  0.490748D+01  0.332790D+01  0.317470D+01  0.111566D+01
      2  -0.107567D+01  0.635050D+00 -0.130971D+01  0.936682D+01 -0.344312D+01
      3  -0.475544D+01  0.506321D+01  0.206812D+01  0.684906D+01  0.769644D+01
               111           112           113           114           115 
      1  -0.955569D+00  0.149777D+01  0.157409D+01 -0.355194D+01 -0.122765D+01
      2   0.115400D+01 -0.399889D+01  0.870413D+01  0.639329D+01 -0.861251D+01
      3  -0.249771D+00  0.180872D+02 -0.560946D+00 -0.988200D+01  0.741434D+00
               116           117           118           119           120 
      1  -0.234495D+01 -0.220599D+01 -0.668056D-02  0.101316D+01  0.376754D+00
      2   0.689739D+01 -0.412704D+01 -0.240252D+01 -0.239210D+00 -0.129460D+00
      3  -0.985510D+01 -0.585996D+01  0.265867D+00  0.898512D-01  0.260190D+00
               121           122           123           124           125 
      1   0.263983D+00 -0.145030D+01 -0.933861D-01  0.258881D+00  0.450613D+01
      2  -0.724174D-01 -0.213128D+01  0.791588D+00 -0.544960D+01  0.376550D+00
      3   0.235663D+01 -0.163221D+01  0.165128D+01  0.624889D+00  0.228717D+01
               126           127           128           129           130 
      1  -0.101016D+01  0.152709D+01 -0.418123D+00 -0.320092D+01  0.926378D+00
      2  -0.122209D+02 -0.246403D+01 -0.168969D+00  0.435071D+01  0.402953D+00
      3  -0.174435D+01  0.552263D+01 -0.728286D+01 -0.261033D+01  0.403983D+01
               131           132           133           134           135 
      1   0.122284D+02 -0.202173D+01 -0.168000D+01  0.601964D+01  0.551257D+01
      2  -0.432964D+01  0.532824D+00 -0.349560D+00  0.100651D+00 -0.252540D+01
      3   0.104006D+02  0.462558D+01 -0.573179D+01  0.861523D+01  0.315838D+01
               136           137           138           139           140 
      1  -0.190138D+01  0.983977D-01 -0.947920D+00  0.604148D+00 -0.172565D+01
      2   0.127974D+01  0.693904D+00  0.159470D+01  0.812302D+00  0.759370D+00
      3   0.104452D+01 -0.178304D+01  0.168824D+01  0.481320D-01  0.162322D+01
               141           142           143           144           145 
      1   0.577325D+00 -0.777070D+00  0.498349D+01 -0.861332D+01 -0.292528D+00
      2  -0.106382D+01 -0.324259D+01 -0.189920D+00  0.940201D+01  0.484075D+01
      3  -0.104570D+01  0.327435D+01 -0.168833D+01  0.259062D+01 -0.193318D+02
               146           147           148           149           150 
      1  -0.245713D+00  0.295280D+01 -0.119523D+00  0.221118D+00 -0.880818D+00
      2  -0.112248D+01  0.268208D+01 -0.820601D+00  0.714140D+00 -0.812325D+00
      3   0.109714D+00  0.833134D+00  0.204422D+01 -0.227708D+01 -0.580629D+00
               151           152           153           154           155 
      1   0.152860D+01 -0.322462D+00 -0.853933D+00  0.152948D-01  0.587688D-01
      2   0.565091D+00 -0.886813D+00 -0.371325D+00 -0.238690D+01 -0.167191D+01
      3  -0.825247D+00 -0.509867D+00 -0.724381D+00 -0.815879D+01 -0.858137D+01
               156           157           158           159           160 
      1  -0.741154D+00  0.480171D+00 -0.862232D+00 -0.943147D+00 -0.348782D+00
      2   0.378223D+01 -0.246455D+01 -0.257107D+01  0.365512D+01  0.259854D+01
      3   0.183798D+01 -0.799415D+01 -0.143313D+02  0.253663D+01  0.320697D+01
               161           162           163           164           165 
      1   0.785782D+00  0.401802D+00 -0.165015D+01  0.192597D+01  0.149958D+01
      2   0.195937D+01 -0.149472D+01  0.231316D+00  0.462436D-01 -0.533644D+00
      3   0.418295D+01 -0.174846D+01 -0.509155D+01  0.517113D+01  0.178253D+01
               166           167           168           169           170 
      1   0.114178D+01 -0.708520D+01 -0.512237D+01  0.527606D+00 -0.324628D+01
      2  -0.821489D-01  0.725813D+00  0.123094D+01 -0.117933D+01  0.114373D+01
      3   0.644913D+01 -0.142717D+02 -0.231893D+01  0.294171D+01 -0.397178D+01
               171           172           173           174           175 
      1  -0.151689D+01  0.267598D+01  0.286840D+01  0.163550D+01  0.143589D+01
      2   0.312120D+00 -0.643956D+00 -0.608453D+01  0.118282D+02 -0.452813D+01
      3  -0.188666D+01 -0.828745D+01 -0.101509D+02  0.283028D+01 -0.647209D+01
               176           177           178           179           180 
      1   0.383453D+01 -0.361179D+01  0.435447D+00  0.457322D+01  0.493010D+01
      2  -0.234822D+01  0.419759D+01  0.466536D+01 -0.185318D+00  0.123476D+02
      3  -0.594259D+01  0.303256D+00  0.159472D+01  0.108367D+01 -0.232722D+00
               181           182           183           184           185 
      1  -0.203810D+01 -0.158975D+01 -0.359523D+00 -0.179810D+01 -0.317314D+01
      2  -0.807860D+00  0.421490D-01  0.377957D+01  0.105677D+01 -0.277723D+01
      3  -0.827420D+01 -0.827100D+01  0.178086D+01 -0.707123D+01 -0.141521D+02
               186           187           188           189           190 
      1   0.320876D-01  0.303192D+00  0.226593D+01 -0.646293D+00  0.139414D+00
      2   0.405999D+01  0.195599D+01  0.203928D+01 -0.127062D+01 -0.312635D+01
      3   0.445339D+01  0.145839D+01  0.387927D+01 -0.281548D+01  0.240871D+01
               191           192           193           194           195 
      1  -0.104156D+01  0.835063D+00 -0.130287D+01  0.310416D+01 -0.236781D+01
      2   0.126753D+01  0.274547D+01  0.104538D+01 -0.609855D+01 -0.929519D+01
      3  -0.460374D+01 -0.107045D+01 -0.443857D+01  0.133814D+02  0.714628D+01
               196           197           198           199           200 
      1   0.452200D+00  0.146162D+01 -0.171241D+01 -0.375684D+00  0.200782D+01
      2   0.216823D+01 -0.649020D+01 -0.940861D+01  0.842161D+00 -0.210643D+00
      3  -0.141878D+01  0.670671D+01  0.615107D+01 -0.227239D+01  0.416799D+01
               201           202           203           204           205 
      1   0.153617D+01  0.393455D+00 -0.795485D+01 -0.614228D+01  0.248874D+00
      2  -0.135893D+00 -0.711036D+00  0.262618D+01  0.212865D+01 -0.104593D+01
      3   0.150745D+01  0.452633D+01 -0.164686D+02 -0.392390D+01  0.244906D+01
               206           207           208           209           210 
      1  -0.602299D+01 -0.339737D+01 -0.228810D+01 -0.283536D+01 -0.626333D+00
      2   0.263868D+01  0.128437D+01  0.639466D+01  0.493608D+01 -0.544381D+01
      3  -0.731047D+01 -0.353448D+01  0.784101D+01  0.608644D+01 -0.242674D+01
               211           212           213           214           215 
      1  -0.239515D+01 -0.306938D+01 -0.270401D+00  0.250001D+00  0.202521D+01
      2   0.429063D+01  0.757842D+01 -0.678455D+01 -0.320991D+01 -0.407343D+01
      3   0.717644D+01  0.925846D+01 -0.488792D+01 -0.166777D+01 -0.423929D+01
               216 
      1   0.410923D+00
      2   0.626516D+01
      3   0.371688D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.684687D+01 -0.540898D+01 -0.834550D+00 -0.405006D+01  0.577881D+01
      2  -0.300867D+01  0.837568D+01  0.292313D+00  0.632690D+01 -0.138383D+02
      3  -0.383820D+01 -0.296670D+01  0.542237D+00 -0.227684D+01  0.805946D+01
      4  -0.152889D+01 -0.559386D+01  0.702484D-02 -0.100646D+02  0.752826D+01
      5   0.850121D+00 -0.184439D+01 -0.341758D+01 -0.355216D+01  0.127323D+01
      6   0.157293D+01  0.187108D+01  0.555912D+01  0.281985D+01 -0.722647D+01
                 6             7             8             9            10 
      1   0.345160D+01  0.137371D+01  0.423549D+01  0.520445D+01 -0.266401D+02
      2  -0.174282D+01  0.286756D+01 -0.103878D+02  0.299444D+01  0.146693D+02
      3  -0.170879D+01 -0.424128D+01  0.615226D+01 -0.819888D+01  0.119708D+02
      4   0.215626D+01 -0.222345D+01  0.673318D+01  0.502230D+01  0.390129D+01
      5   0.349182D+01 -0.263511D+01  0.321083D+01 -0.159558D+02 -0.592893D+00
      6  -0.761202D+01  0.439744D+01 -0.458793D+01  0.195227D+02 -0.342739D+00
                11            12            13            14            15 
      1  -0.200054D+01  0.202725D+01  0.313344D+01  0.777559D+01 -0.735459D-01
      2   0.444977D+01  0.135029D+01 -0.166603D+01 -0.199621D+01 -0.683120D+00
      3  -0.244923D+01 -0.337754D+01 -0.146741D+01 -0.577937D+01  0.756666D+00
      4   0.574587D+00  0.236308D+00  0.810184D+01  0.124546D+01 -0.196330D+01
      5   0.567361D-01 -0.749901D-02  0.108748D+01 -0.110645D+01 -0.522940D+01
      6   0.591787D+00  0.220701D+01 -0.106155D+01  0.227734D+00  0.150133D+00
                16            17            18            19            20 
      1  -0.456238D+01  0.231510D+01  0.129968D+02 -0.322390D+01  0.494329D+01
      2   0.288650D+01 -0.568916D+01  0.188999D+01  0.863784D+00 -0.971685D+01
      3   0.167588D+01  0.337406D+01 -0.148868D+02  0.236012D+01  0.477355D+01
      4   0.223529D+01 -0.318495D+01 -0.256828D+01 -0.176567D+01 -0.794103D+01
      5   0.667832D+01 -0.275811D+01  0.221536D+02  0.155257D+01  0.289520D+01
      6   0.743735D+00  0.402416D+00  0.546172D+01 -0.397636D+00  0.389763D+01
                21            22            23            24            25 
      1  -0.175379D+01  0.241500D+01 -0.252320D+01 -0.299286D+01  0.122220D+01
      2   0.321742D+00 -0.709810D+01 -0.507350D+00  0.278196D+01  0.374478D+01
      3   0.143205D+01  0.468310D+01  0.303055D+01  0.210897D+00 -0.496697D+01
      4   0.108872D+01 -0.114101D+02 -0.639824D+01  0.128903D+01  0.382090D+01
      5  -0.401406D+01  0.178401D+01  0.307916D+01 -0.395815D+00 -0.209216D+01
      6  -0.573078D+01  0.264907D+01  0.461429D+01 -0.239619D+01 -0.382098D+01
                26            27            28            29            30 
      1  -0.124269D+01 -0.215130D+01 -0.145312D+02  0.731852D+01 -0.534544D+00
      2   0.499172D+01  0.610317D+01  0.685532D+01 -0.856944D+01  0.148031D+01
      3  -0.374904D+01 -0.395187D+01  0.767591D+01  0.125093D+01 -0.945767D+00
      4   0.624623D+01 -0.965754D+00 -0.118473D+01 -0.196980D+01 -0.381518D+00
      5   0.705893D+00 -0.102723D+02 -0.214937D+01 -0.100472D+01 -0.156265D+01
      6   0.155632D+01 -0.153318D+02 -0.111823D+00 -0.261061D+01 -0.765630D+00
                31            32            33            34            35 
      1   0.395229D+01  0.109711D+02 -0.324388D+01 -0.515696D+01 -0.254318D+00
      2  -0.294147D+01 -0.112891D+02 -0.381060D+01  0.266334D+01 -0.667942D+00
      3  -0.101082D+01  0.318013D+00  0.705447D+01  0.249362D+01  0.922260D+00
      4  -0.344333D+01 -0.828784D+01 -0.477381D+01  0.405601D+01 -0.220465D+01
      5   0.186789D+01 -0.718206D+01 -0.792695D+01  0.169969D+00 -0.237391D+01
      6  -0.418119D+01  0.348823D+01 -0.744558D+00 -0.139865D+01  0.128738D+01
                36            37            38            39            40 
      1   0.164292D+02  0.124621D+02 -0.253239D+01  0.153031D+01 -0.102876D+01
      2   0.123220D+02 -0.747390D+01  0.246650D+01 -0.161315D+01  0.184544D+01
      3  -0.287512D+02 -0.498824D+01  0.658865D-01  0.828439D-01 -0.816678D+00
      4  -0.299043D+01 -0.818877D+01  0.135108D+02 -0.158203D+00  0.133745D+02
      5   0.190843D+02  0.240176D+01  0.378105D+00  0.153702D+02 -0.154887D+01
      6  -0.532756D-01  0.119353D+01  0.791092D+00  0.479033D+01  0.118676D+01
                41            42            43            44            45 
      1  -0.120821D+02  0.282210D+01  0.336729D+01  0.194101D+01 -0.425997D+01
      2   0.178061D+02  0.148896D+01 -0.405748D+01 -0.290056D+01 -0.267213D+01
      3  -0.572398D+01 -0.431106D+01  0.690193D+00  0.959547D+00  0.693211D+01
      4  -0.212662D+00  0.727216D+00 -0.555501D+01 -0.846609D+00 -0.189873D+01
      5   0.171054D+01  0.261348D+01  0.485073D+01 -0.147686D+01  0.123576D+01
      6  -0.335960D+00  0.556930D+01 -0.146913D+01  0.466160D+01  0.351139D+00
                46            47            48            49            50 
      1  -0.114471D+02  0.584905D+01  0.217784D+01 -0.321474D+01 -0.387332D+01
      2   0.972305D+01 -0.733633D+01  0.129406D+01 -0.408799D+01 -0.209788D+01
      3   0.172404D+01  0.148728D+01 -0.347190D+01  0.730274D+01  0.597120D+01
      4   0.577669D+01 -0.134390D+02 -0.153603D+01 -0.155334D+02 -0.863906D+01
      5   0.100026D+01 -0.746103D-01 -0.148179D+02  0.181421D+01  0.148601D+01
      6  -0.437538D+00  0.120051D+01 -0.861741D+01  0.474466D+00  0.494911D+01
                51            52            53            54            55 
      1  -0.391164D+01  0.382548D+01 -0.397123D+01  0.381852D+01 -0.150767D+02
      2  -0.104390D+01  0.326699D+01  0.720081D+01  0.149299D+02  0.595801D+01
      3   0.495554D+01 -0.709247D+01 -0.322958D+01 -0.187484D+02  0.911870D+01
      4   0.229834D+01  0.266610D+01  0.567133D+01 -0.205940D+00  0.233377D+02
      5   0.214801D+01 -0.606050D+01  0.929839D+00 -0.193983D+02  0.164314D+01
      6  -0.210711D+01 -0.367251D+01  0.214417D+01 -0.190205D+02  0.194155D+01
                56            57            58            59            60 
      1   0.310523D+01 -0.506743D+00  0.332180D+01 -0.246680D+02 -0.740749D+01
      2  -0.887344D+00  0.164277D+01 -0.593658D+01  0.406562D+02  0.571864D+01
      3  -0.221789D+01 -0.113603D+01  0.261478D+01 -0.159882D+02  0.168885D+01
      4   0.275405D+00  0.438781D+00  0.103611D+02 -0.195682D+02 -0.491936D+01
      5  -0.677429D+00  0.361439D+01  0.212513D+01 -0.350112D+01 -0.215759D+01
      6   0.906278D-01  0.285214D+00 -0.263485D+01  0.127191D+02  0.119843D+02
                61            62            63            64            65 
      1  -0.829040D+00 -0.963334D+01 -0.879237D+01  0.944843D+00  0.652497D+00
      2  -0.146884D+01  0.129596D+02  0.369418D+01 -0.309968D+01 -0.139420D+01
      3   0.229788D+01 -0.332626D+01  0.509819D+01  0.215484D+01  0.741701D+00
      4   0.669698D+01 -0.924370D+01 -0.528589D+01 -0.158396D+01  0.366160D+01
      5   0.529368D+01 -0.518183D+01 -0.337307D+01  0.422268D+01 -0.124739D+01
      6  -0.341521D+01  0.152666D+02  0.787285D+01 -0.359089D+01  0.396171D+00
                66            67            68            69            70 
      1   0.199899D+01  0.966239D+00 -0.370997D+01  0.290160D+01  0.137610D+01
      2  -0.242514D+01 -0.161949D+01  0.290930D+01 -0.300110D+01 -0.266615D+01
      3   0.426152D+00  0.653247D+00  0.800672D+00  0.994985D-01  0.129005D+01
      4  -0.316118D+01  0.328396D+01 -0.270513D+01  0.271517D+01 -0.464741D+01
      5   0.826075D+01 -0.187523D+00  0.263531D+01 -0.145913D+01  0.607980D+01
      6  -0.225924D+01  0.109917D+01 -0.424776D+01  0.757471D+01 -0.348590D+01
                71            72            73            74            75 
      1   0.429730D+01 -0.117225D+02  0.452005D+02 -0.149714D+02  0.307475D+01
      2  -0.369172D+01 -0.110149D+02 -0.274803D+02  0.719181D+01 -0.212187D+01
      3  -0.605584D+00  0.227374D+02 -0.177202D+02  0.777959D+01 -0.952878D+00
      4   0.403913D+01 -0.379006D+01 -0.183740D+02  0.170028D+01  0.297106D+01
      5  -0.258468D+01  0.177135D+02  0.550591D+01  0.398402D+01  0.839484D+01
      6   0.671349D+01 -0.226576D+02  0.572297D+00  0.343021D+00 -0.175227D+01
                76            77            78            79            80 
      1  -0.314731D+02 -0.878038D+01  0.390614D+01  0.166961D+02  0.369148D+01
      2   0.172913D+02  0.751311D+01 -0.194087D+01 -0.902146D+01 -0.171963D+01
      3   0.141818D+02  0.126727D+01 -0.196527D+01 -0.767467D+01 -0.197185D+01
      4  -0.391209D+01 -0.210958D+02  0.584664D+01  0.333861D+01  0.760203D+01
      5   0.492941D+01  0.701891D+01 -0.495022D+01  0.936731D+01 -0.350704D+01
      6   0.185820D+01  0.181761D+01  0.353382D+01 -0.102769D+01  0.223301D+01
                81            82            83            84            85 
      1   0.230312D+01  0.136129D+00  0.327334D+00 -0.572814D+01  0.712326D+00
      2  -0.499968D+01 -0.319716D+01 -0.908965D-01  0.927504D+00 -0.359211D+00
      3   0.269656D+01  0.306103D+01 -0.236437D+00  0.480063D+01 -0.353115D+00
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      5   0.266177D+01 -0.235223D+01 -0.343637D+00  0.319403D+01 -0.111139D+00
      6   0.407607D+00 -0.804144D+00  0.394763D+00 -0.640031D+00  0.933827D-02
                86            87            88            89            90 
      1  -0.471381D+01  0.179023D+01 -0.744000D+01  0.152696D+01 -0.169371D+02
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      6  -0.162911D+01  0.732788D+01 -0.184819D+00  0.380398D+01 -0.499199D+01
                91            92            93            94            95 
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      6   0.212601D+01  0.114719D-01  0.185238D+01  0.603737D+00  0.146200D+01
                96            97            98            99           100 
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      6   0.425205D+01  0.241302D+01  0.278185D+01  0.148238D+02 -0.581122D+01
               101           102           103           104           105 
      1  -0.907801D+01 -0.636569D+00 -0.321656D+01  0.944555D+01  0.612042D+01
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      6  -0.322458D+01  0.601596D+01 -0.243559D+01 -0.107626D+02  0.673443D+01
               106           107           108           109           110 
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      6   0.773276D+01  0.893308D+01 -0.736791D+01 -0.169752D+01  0.554744D+01
               111           112           113           114           115 
      1   0.740488D+01 -0.144269D+02 -0.191854D+02  0.307672D+01  0.936848D+01
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      6   0.314763D+01  0.934239D+01 -0.921206D+01 -0.989672D+01  0.906753D+01
               116           117           118           119           120 
      1   0.292493D+01 -0.123362D+02  0.138016D+01 -0.144594D+00 -0.454060D+01
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      4   0.179594D+02  0.178523D+02 -0.199793D+00  0.141423D+01  0.111458D+01
      5   0.173128D+02 -0.296193D+01 -0.382977D+01  0.127495D+00  0.634966D+01
      6  -0.164653D+02 -0.447023D+01  0.516572D+00  0.630022D+00 -0.357661D+00
               121           122           123           124           125 
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      4   0.142880D+01  0.162255D+01 -0.200027D+01  0.113671D+01 -0.251876D+01
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      6   0.174089D+00 -0.315004D+00  0.750224D+01  0.664754D+00  0.490189D+01
               126           127           128           129           130 
      1  -0.215979D+02  0.101365D+02 -0.765105D+01 -0.281876D+01 -0.397079D+00
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      3   0.406835D+02 -0.110435D+02 -0.117197D+02 -0.111023D+01 -0.900878D+01
      4   0.156236D+01  0.162808D+02  0.221312D+02 -0.326429D+01  0.193408D+02
      5  -0.212023D+02 -0.260518D+01  0.649590D+00  0.711717D+01 -0.310631D+00
      6   0.239730D+01 -0.383984D+01  0.152136D+01  0.570703D+01  0.206405D+00
               131           132           133           134           135 
      1   0.147987D+02  0.105699D+02 -0.446799D+01  0.173817D+02  0.127562D+01
      2  -0.160135D+02 -0.144890D+02  0.490471D+00 -0.300707D+02 -0.608604D+01
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      4   0.958171D+01 -0.562645D+01 -0.938613D+01 -0.161375D+02  0.369141D+01
      5  -0.711116D+01  0.580150D+00  0.695121D+01  0.261432D+00 -0.444672D+01
      6  -0.201659D+02  0.367193D+01  0.589388D+01  0.288931D+01 -0.982408D+01
               136           137           138           139           140 
      1   0.176556D+01 -0.301861D+00  0.207589D+01 -0.109812D+01 -0.210359D+01
      2  -0.496867D+01  0.322776D+00 -0.271026D+01  0.197420D+01 -0.823151D+00
      3   0.320310D+01 -0.209159D-01  0.634372D+00 -0.876078D+00  0.292674D+01
      4   0.144973D+01  0.343107D+01  0.346742D+01  0.337176D+01  0.359231D+00
      5   0.572314D+01  0.101909D+01  0.995302D+01 -0.540650D+00  0.289248D+01
      6   0.356741D+01  0.968423D+00  0.264803D+01  0.978945D+00  0.220668D+01
               141           142           143           144           145 
      1  -0.112037D+01  0.403675D+00 -0.257267D+01 -0.143438D+02  0.236893D+02
      2   0.394406D+01 -0.428583D+01  0.338954D+01 -0.187039D+02 -0.406763D+01
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      4   0.230557D+01  0.550732D+01  0.520993D+01  0.222650D+01 -0.379969D+02
      5  -0.225480D+01  0.981211D+01  0.173187D+01  0.218958D+02 -0.646312D+01
      6   0.491035D+01  0.431648D+01  0.549779D+01  0.205364D+02  0.227249D+01
               146           147           148           149           150 
      1  -0.325526D+01 -0.372998D+00 -0.200520D+01  0.976131D+00  0.186686D+00
      2  -0.760489D+01 -0.786867D-01 -0.349482D+01  0.481212D+01 -0.104434D+00
      3   0.108602D+02  0.451685D+00  0.550002D+01 -0.578825D+01 -0.822520D-01
      4   0.212547D+02  0.385146D+01  0.114081D+02 -0.807219D+01 -0.739332D+00
      5   0.316413D+01  0.459806D+01  0.116123D+01 -0.568982D+00 -0.168486D+01
      6  -0.305144D+01 -0.510657D+01 -0.121176D+01  0.546612D+00  0.176547D+01
               151           152           153           154           155 
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      6  -0.354874D+01  0.346552D+01  0.199439D+01 -0.118749D+01 -0.791672D+00
               156           157           158           159           160 
      1  -0.506200D+01  0.277096D+02  0.143341D+02 -0.423088D+01 -0.903969D+01
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      4  -0.297823D+01  0.194731D+02  0.201075D+02 -0.502954D+01 -0.506021D+01
      5   0.680989D+01 -0.574164D+01 -0.557163D+01  0.582602D+01  0.928046D+01
      6   0.908990D+00 -0.189678D+01 -0.155635D+01  0.143453D+01  0.186768D+01
               161           162           163           164           165 
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      5   0.468393D+01 -0.354318D+01  0.578995D+00 -0.107827D+01 -0.874164D+00
      6   0.256889D+01 -0.139261D+01  0.139427D+01  0.250304D+00 -0.126915D+01
               166           167           168           169           170 
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      4   0.622209D+01  0.135603D+02  0.100941D+01  0.198746D+01  0.407886D+01
      5  -0.114755D+01  0.326982D+01  0.277060D+01  0.818132D+00  0.247087D+01
      6  -0.750814D+00  0.115574D+01  0.636585D+01 -0.565686D+00  0.711943D+01
               171           172           173           174           175 
      1  -0.479173D+01  0.300381D+02  0.929075D+01  0.326898D+01  0.122781D+02
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      3  -0.386917D+00 -0.117821D+02 -0.174829D+01  0.214492D+01 -0.256521D+01
      4   0.126889D+01 -0.381388D+01  0.135417D+02 -0.673639D+01  0.123925D+02
      5   0.615127D+00  0.159318D+02 -0.410357D+01  0.186191D+02 -0.186071D+01
      6   0.168917D+01 -0.430090D+00  0.801156D+01 -0.689765D+01  0.570113D+01
               176           177           178           179           180 
      1   0.136877D+02 -0.485103D+01  0.647624D+01 -0.732866D+01  0.836917D+01
      2  -0.614198D+01  0.203537D+01 -0.709074D+01  0.249815D+01 -0.179314D+02
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      4   0.278014D+01  0.284930D+01 -0.710822D+01  0.915402D+00 -0.871368D+01
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      6   0.376309D+01  0.749745D+00 -0.903211D+01  0.951230D+01 -0.273844D+01
               181           182           183           184           185 
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      2  -0.174092D+02 -0.857137D+01  0.407409D+01 -0.143706D+02 -0.528712D+01
      3  -0.148568D+02 -0.743150D+01  0.297761D+01 -0.112177D+02 -0.851550D+01
      4   0.146394D+02  0.133854D+02 -0.273485D+01  0.164396D+02  0.205161D+02
      5  -0.107160D+02 -0.469593D+01  0.930544D+01 -0.738305D+01 -0.102602D+02
      6  -0.132941D+01 -0.257459D+01  0.148351D+00 -0.310635D+01 -0.241852D+01
               186           187           188           189           190 
      1  -0.443989D+01 -0.797268D+01 -0.210582D+01  0.647625D+01  0.128098D+02
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      3   0.894769D+00  0.230793D+01 -0.269076D+00 -0.932539D+00 -0.823342D+01
      4  -0.838364D+01 -0.250902D+01 -0.641546D+01  0.460729D+01 -0.131129D+02
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      6   0.253622D+01  0.890674D+00  0.384227D+01 -0.198347D+01  0.571846D+01
               191           192           193           194           195 
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      3   0.580565D+01  0.418044D+01  0.967150D+01 -0.124760D+02 -0.322687D+01
      4   0.137753D+02  0.717950D+01  0.239589D+02 -0.323660D+02 -0.181366D+02
      5   0.671911D+01  0.103436D+02  0.122498D+02 -0.193021D+02 -0.207273D+02
      6  -0.415056D+01 -0.400847D+01 -0.830238D+01  0.158108D+02  0.144707D+02
               196           197           198           199           200 
      1  -0.912739D+01  0.129091D+00  0.178297D+01 -0.120539D+01  0.103414D+02
      2   0.535135D+01  0.124865D+01 -0.287006D+01  0.342102D+01 -0.142707D+02
      3   0.377603D+01 -0.137774D+01  0.108708D+01 -0.221563D+01  0.392924D+01
      4   0.107595D+02 -0.152164D+02 -0.162388D+02  0.147165D+01  0.331351D+01
      5   0.167823D+02 -0.170558D+02 -0.232103D+02  0.906290D+00 -0.228904D+00
      6  -0.739929D+01  0.129410D+02  0.141012D+02  0.209609D+01 -0.383059D+01
               201           202           203           204           205 
      1   0.251970D+01  0.316447D+01 -0.345358D+02 -0.767806D+01  0.172470D+01
      2  -0.330805D+01 -0.877468D+00  0.603696D+02  0.125803D+02 -0.905371D+00
      3   0.788348D+00 -0.228700D+01 -0.258338D+02 -0.490227D+01 -0.819328D+00
      4   0.132978D+01  0.711456D+01  0.215561D+02  0.359975D+01  0.319372D+01
      5   0.286635D+00  0.511900D-02  0.642096D+01  0.419646D+01  0.126631D+01
      6  -0.227839D+01 -0.296933D+00  0.160775D+02  0.101989D+02 -0.603270D-01
               206           207           208           209           210 
      1  -0.154130D+02 -0.840593D+01 -0.129565D+02 -0.105394D+02  0.746577D+01
      2   0.239320D+02  0.105775D+02  0.830081D+01  0.679094D+01 -0.232839D+01
      3  -0.851891D+01 -0.217159D+01  0.465569D+01  0.374846D+01 -0.513738D+01
      4   0.907075D+01  0.371384D+01  0.171091D+00 -0.529888D+01  0.300310D+01
      5   0.579451D+01  0.264558D+01 -0.148159D+01  0.154139D+01 -0.629209D+01
      6   0.154924D+02  0.761579D+01 -0.299129D+01 -0.628320D+01  0.641321D+01
               211           212           213           214           215 
      1  -0.136572D+02 -0.148389D+02  0.774818D+01  0.629731D+01  0.654295D+01
      2   0.835621D+01  0.132929D+02 -0.547675D+01 -0.291773D+01 -0.358354D+01
      3   0.530103D+01  0.154604D+01 -0.227143D+01 -0.337958D+01 -0.295941D+01
      4   0.102568D+01 -0.116637D+02  0.686435D+01  0.421594D+00  0.518723D+01
      5  -0.164341D+01  0.541716D+01 -0.819710D+01  0.154398D+01 -0.331144D+01
      6  -0.302377D+01 -0.108285D+02  0.890020D+01  0.229346D+01  0.696830D+01
               216 
      1  -0.785738D+01
      2   0.161350D+01
      3   0.624389D+01
      4  -0.300570D+01
      5   0.745452D+01
      6  -0.680203D+01
 Leave Link  716 at Mon Sep 27 11:44:33 2021, MaxMem=  6442450944 cpu:               0.6 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.110689D+03  0.120037D+01 -0.179842D+01
      2   0.120037D+01  0.103930D+03  0.140199D+00
      3  -0.179842D+01  0.140199D+00  0.868762D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.192307D+01 -0.859081D+01 -0.128434D+01
      2   0.120368D+02 -0.358763D+01  0.142970D+02
      3   0.264842D+01 -0.735284D+01  0.182586D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.181606D+02 -0.132224D+02  0.123626D+02
      2  -0.218164D+02  0.110423D+02  0.883545D+01
      3   0.365573D+01  0.218008D+01 -0.211981D+02
      4  -0.147220D+02 -0.106993D+02 -0.114431D+02
      5  -0.860204D+01 -0.104705D+02  0.286751D+02
      6  -0.829225D+01 -0.107024D+02 -0.569384D+01
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    72 ND12= 1 LenFil=    2595:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.370143D+01  0.333893D+00  0.212633D+00 -0.441742D+00  0.271433D+01
      2   0.333893D+00  0.347685D+01  0.232502D+00  0.271433D+01 -0.141153D+01
      3   0.212633D+00  0.232502D+00  0.105268D+01  0.535595D+00 -0.134783D+01
                 6             7             8             9            10 
      1   0.535595D+00 -0.425187D+00  0.509843D+00  0.131602D+01  0.470122D+01
      2  -0.134783D+01  0.509843D+00 -0.281650D+01 -0.128774D+01 -0.723020D+00
      3  -0.463641D+00  0.131602D+01 -0.128774D+01  0.779588D+01  0.365007D-03
                11            12            13            14            15 
      1  -0.723020D+00  0.365007D-03 -0.941298D+00 -0.268899D+01 -0.228849D+00
      2  -0.261973D+01 -0.149768D+00 -0.268899D+01 -0.635068D+00  0.747661D+00
      3  -0.149768D+00 -0.249999D+01 -0.228849D+00  0.747661D+00  0.167915D+01
                16            17            18            19            20 
      1   0.106808D+01 -0.368845D+00 -0.163168D+01  0.297266D+01 -0.276633D+00
      2  -0.368845D+00  0.176532D+01  0.935619D+00 -0.276633D+00 -0.292263D+01
      3  -0.163168D+01  0.935619D+00 -0.745830D+01 -0.381377D-01  0.462990D+00
                21            22            23            24            25 
      1  -0.381377D-01 -0.775704D+00 -0.373451D+01  0.207579D+00  0.687876D+00
      2   0.462990D+00 -0.373451D+01  0.827269D+00  0.146643D+01  0.680589D+00
      3  -0.986029D+00  0.207579D+00  0.146643D+01  0.140743D+01 -0.152418D+01
                26            27            28            29            30 
      1   0.680589D+00 -0.152418D+01 -0.147151D+01  0.222786D+01 -0.542373D+00
      2   0.231397D+01  0.109112D+01  0.222786D+01  0.273508D+01 -0.145696D+00
      3   0.109112D+01 -0.720430D+01 -0.542373D+00 -0.145696D+00  0.408436D+00
                31            32            33            34            35 
      1   0.247900D+01  0.380803D+01  0.850987D+00 -0.210043D+01  0.437918D+00
      2   0.380803D+01 -0.112794D+01 -0.169862D+01  0.437918D+00 -0.241172D+01
      3   0.850987D+00 -0.169862D+01 -0.175799D+01  0.425563D+00 -0.681326D+00
                36            37            38            39            40 
      1   0.425563D+00  0.531595D+01 -0.176532D+01 -0.206716D+00 -0.336178D+01
      2  -0.681326D+00 -0.176532D+01 -0.970394D-01 -0.316243D+00 -0.100897D+01
      3   0.717374D+01 -0.206716D+00 -0.316243D+00 -0.447455D+00 -0.325949D+00
                41            42            43            44            45 
      1  -0.100897D+01 -0.325949D+00  0.234776D+01  0.498409D+00  0.195816D+00
      2  -0.354469D+01  0.714630D+00  0.498409D+00  0.149915D+01 -0.382616D+00
      3   0.714630D+00  0.807024D+00  0.195816D+00 -0.382616D+00 -0.886389D+00
                46            47            48            49            50 
      1  -0.497804D+01 -0.649569D+00  0.223307D+00  0.140013D+01  0.254314D+01
      2  -0.649569D+00  0.872017D+00  0.533281D+00  0.254314D+01 -0.108600D+01
      3   0.223307D+00  0.533281D+00  0.155427D+01 -0.185986D+00 -0.102939D+01
                51            52            53            54            55 
      1  -0.185986D+00 -0.941761D+00 -0.104646D+00  0.167243D+01  0.548644D+01
      2  -0.102939D+01 -0.104646D+00 -0.194504D+01 -0.925906D+00 -0.329742D+00
      3  -0.215244D+01  0.167243D+01 -0.925906D+00  0.733634D+01  0.355388D+00
                56            57            58            59            60 
      1  -0.329742D+00  0.355388D+00  0.824129D+00 -0.138590D+01 -0.361025D+00
      2   0.718271D+00  0.306241D+00 -0.138590D+01  0.659772D+01  0.176951D+01
      3   0.306241D+00  0.544215D+00 -0.361025D+00  0.176951D+01  0.195587D+00
                61            62            63            64            65 
      1   0.134363D+01 -0.873897D+00 -0.624463D+00 -0.134195D+00  0.791262D-01
      2  -0.873897D+00  0.298126D+01  0.187183D+01  0.791262D-01 -0.921348D+00
      3  -0.624463D+00  0.187183D+01  0.652518D+00 -0.115070D+01  0.128867D+00
                66            67            68            69            70 
      1  -0.115070D+01  0.265148D+00 -0.740136D+00  0.115864D+00 -0.199313D+01
      2   0.128867D+00 -0.740136D+00  0.773937D+00 -0.106474D+01  0.330905D+00
      3  -0.854898D+00  0.115864D+00 -0.106474D+01  0.702411D+00 -0.973072D+00
                71            72            73            74            75 
      1   0.330905D+00 -0.973072D+00 -0.646880D+01  0.245466D+01 -0.242977D+00
      2  -0.180429D+01  0.101082D+01  0.245466D+01  0.102753D+01 -0.530223D+00
      3   0.101082D+01 -0.718530D+01 -0.242977D+00 -0.530223D+00  0.816004D+00
                76            77            78            79            80 
      1   0.535347D+01  0.676934D+00 -0.693012D+00 -0.269750D+01 -0.661047D+00
      2   0.676934D+00  0.366787D+01 -0.939667D+00 -0.661047D+00 -0.140706D+01
      3  -0.693012D+00 -0.939667D+00  0.627913D+00 -0.736490D+00  0.433343D+00
                81            82            83            84            85 
      1  -0.736490D+00 -0.705648D-01  0.285180D-01  0.115627D+01 -0.166020D+00
      2   0.433343D+00  0.285180D-01  0.597902D+00 -0.130515D-01  0.588846D+00
      3   0.169683D-01  0.115627D+01 -0.130515D-01  0.792518D+00 -0.340470D-01
                86            87            88            89            90 
      1   0.588846D+00 -0.340470D-01  0.197769D+01  0.113427D+00  0.125397D+00
      2  -0.433329D+00  0.904197D+00  0.113427D+00  0.153335D+01 -0.636113D+00
      3   0.904197D+00 -0.928708D+00  0.125397D+00 -0.636113D+00  0.769629D+01
                91            92            93            94            95 
      1   0.483972D+00 -0.238744D+00  0.113717D+01 -0.452008D-01  0.992174D+00
      2  -0.238744D+00  0.102257D+01  0.342816D-01  0.992174D+00 -0.316065D+00
      3   0.113717D+01  0.342816D-01  0.713587D+00  0.559419D-01  0.859303D+00
                96            97            98            99           100 
      1   0.559419D-01  0.218476D+01 -0.234164D+00  0.116671D+01  0.389055D+01
      2   0.859303D+00 -0.234164D+00  0.174166D+01 -0.610704D-01  0.189432D+01
      3  -0.877236D-01  0.116671D+01 -0.610704D-01  0.678783D+01 -0.114672D+01
               101           102           103           104           105 
      1   0.189432D+01 -0.114672D+01  0.768453D+00  0.341510D+01 -0.711903D-01
      2   0.437296D+01 -0.887436D-01  0.341510D+01 -0.114008D+01 -0.176723D+01
      3  -0.887436D-01  0.639692D+00 -0.711903D-01 -0.176723D+01 -0.868282D+00
               106           107           108           109           110 
      1  -0.169336D+01 -0.696616D+00  0.142940D+01  0.243804D+01 -0.216497D+01
      2  -0.696616D+00 -0.369890D+01  0.691416D+00 -0.216497D+01 -0.240499D+01
      3   0.142940D+01  0.691416D+00 -0.550334D+00  0.156347D+01 -0.201665D+00
               111           112           113           114           115 
      1   0.156347D+01 -0.166722D+01 -0.429315D+01 -0.650079D+00  0.287033D+01
      2  -0.201665D+00 -0.429315D+01  0.102126D+01  0.376311D+01 -0.907535D+00
      3  -0.779646D+00 -0.650079D+00  0.376311D+01  0.210193D+01 -0.334313D+01
               116           117           118           119           120 
      1  -0.907535D+00 -0.334313D+01  0.412772D+00 -0.148468D+00 -0.140011D+01
      2   0.386889D+01  0.267804D+01 -0.148468D+00 -0.437395D+00  0.684886D-01
      3   0.267804D+01 -0.604939D+00 -0.140011D+01  0.684886D-01 -0.200455D+00
               121           122           123           124           125 
      1  -0.123595D+00 -0.418440D+00 -0.236640D+00 -0.199284D+01 -0.282779D+00
      2  -0.418440D+00  0.609063D+00 -0.106713D+01 -0.282779D+00 -0.136109D+01
      3  -0.236640D+00 -0.106713D+01  0.552334D+00  0.549378D+00  0.391490D+00
               126           127           128           129           130 
      1   0.549378D+00 -0.249866D+01 -0.188172D+01  0.913708D+00 -0.153613D+01
      2   0.391490D+00 -0.188172D+01 -0.345279D+01 -0.224485D+00 -0.241434D+01
      3  -0.847411D+01  0.913708D+00 -0.224485D+00 -0.373134D+00 -0.625056D-01
               131           132           133           134           135 
      1  -0.241434D+01 -0.625056D-01  0.205078D+01  0.666152D+00 -0.110679D+01
      2   0.296538D+01  0.257073D+01  0.666152D+00  0.551211D+01 -0.228379D-02
      3   0.257073D+01  0.110224D+01 -0.110679D+01 -0.228379D-02  0.111659D+01
               136           137           138           139           140 
      1  -0.470506D+00 -0.474253D-01 -0.140163D+01 -0.225465D-01 -0.625300D+00
      2  -0.474253D-01 -0.335335D+00 -0.316064D+00 -0.625300D+00  0.132514D+00
      3  -0.140163D+01 -0.316064D+00 -0.932382D+00  0.660912D-01 -0.942492D+00
               141           142           143           144           145 
      1   0.660912D-01 -0.244941D+01 -0.560830D+00 -0.151109D+01 -0.771587D+01
      2  -0.942492D+00 -0.560830D+00 -0.149973D+01 -0.408848D+00  0.297207D+01
      3   0.451638D+00 -0.151109D+01 -0.408848D+00 -0.776792D+01  0.693345D+00
               146           147           148           149           150 
      1   0.297207D+01  0.693345D+00  0.155122D+01 -0.132439D+01 -0.137052D+00
      2  -0.327015D+01 -0.624301D+00 -0.132439D+01  0.143654D+01  0.276715D-01
      3  -0.624301D+00 -0.118688D+01 -0.137052D+00  0.276715D-01  0.476063D+00
               151           152           153           154           155 
      1  -0.134151D+00  0.950580D-02 -0.730404D+00 -0.530453D+01 -0.239450D+01
      2   0.950580D-02 -0.173694D+00  0.551082D+00 -0.239450D+01 -0.222548D+01
      3  -0.730404D+00  0.551082D+00  0.489606D+00  0.742438D+00  0.463128D+00
               156           157           158           159           160 
      1   0.742438D+00 -0.467553D+01 -0.267315D+01  0.685197D+00  0.167449D+01
      2   0.463128D+00 -0.267315D+01 -0.330423D+01  0.702657D+00  0.873811D+00
      3  -0.106716D+01  0.685197D+00  0.702657D+00 -0.855696D+00 -0.122512D+01
               161           162           163           164           165 
      1   0.873811D+00 -0.122512D+01 -0.652383D+00  0.707934D+00  0.331686D+00
      2   0.105852D+01 -0.623460D+00  0.707934D+00 -0.190016D+01 -0.888697D-01
      3  -0.623460D+00  0.536943D+00  0.331686D+00 -0.888697D-01 -0.244874D+00
               166           167           168           169           170 
      1   0.162099D+01  0.610377D-01 -0.207233D+00  0.645374D+00  0.193338D-01
      2   0.610377D-01  0.831397D+01  0.746107D+00  0.193338D-01  0.205435D+01
      3  -0.207233D+00  0.746107D+00  0.133334D+01 -0.593504D-01  0.110905D+01
               171           172           173           174           175 
      1  -0.593504D-01  0.368132D+01  0.829171D+00  0.164453D+01  0.182133D+01
      2   0.110905D+01  0.829171D+00  0.194746D+01 -0.114178D+01  0.188783D+01
      3   0.226489D+00  0.164453D+01 -0.114178D+01  0.226664D+01 -0.528747D+00
               176           177           178           179           180 
      1   0.188783D+01 -0.528747D+00  0.134784D+01 -0.686018D+00  0.347843D+01
      2   0.173984D+01  0.650545D-01 -0.686018D+00 -0.634873D+00 -0.854362D+00
      3   0.650545D-01  0.136230D+01  0.347843D+01 -0.854362D+00  0.356371D+01
               181           182           183           184           185 
      1   0.434177D+01  0.230530D+01 -0.112775D+01  0.394936D+01  0.240917D+01
      2   0.230530D+01  0.193287D+01 -0.385167D+00  0.240917D+01  0.346431D+01
      3  -0.112775D+01 -0.385167D+00  0.108004D+01 -0.595599D+00 -0.135516D+01
               186           187           188           189           190 
      1  -0.595599D+00 -0.151623D+01 -0.364870D+00  0.142845D+01  0.210027D+01
      2  -0.135516D+01 -0.364870D+00 -0.108478D+01  0.759535D+00 -0.147299D+01
      3   0.109899D+01  0.142845D+01  0.759535D+00 -0.801328D+00 -0.158635D+01
               191           192           193           194           195 
      1  -0.147299D+01 -0.158635D+01 -0.287562D+01  0.318947D+01  0.141524D+01
      2   0.144185D+01  0.674641D+00  0.318947D+01 -0.517942D+01 -0.287190D+01
      3   0.674641D+00  0.105548D+01  0.141524D+01 -0.287190D+01 -0.313456D+01
               196           197           198           199           200 
      1  -0.232749D+01  0.137846D+01  0.199252D+01 -0.211450D+00 -0.788436D+00
      2   0.137846D+01 -0.252642D+01 -0.257933D+01 -0.788436D+00  0.200357D+01
      3   0.199252D+01 -0.257933D+01 -0.358644D+01 -0.331468D+00  0.404616D+00
               201           202           203           204           205 
      1  -0.331468D+00 -0.124367D+01 -0.257344D+00  0.140223D+00 -0.705346D+00
      2   0.404616D+00 -0.257344D+00 -0.102007D+02 -0.189512D+01 -0.111155D+00
      3   0.225219D+00  0.140223D+00 -0.189512D+01 -0.161128D+01 -0.751754D-02
               206           207           208           209           210 
      1  -0.111155D+00 -0.751754D-02 -0.214703D+01 -0.951311D+00  0.200639D+00
      2  -0.443290D+01 -0.201880D+01 -0.951311D+00 -0.156188D+01  0.917017D+00
      3  -0.201880D+01 -0.105015D+01  0.200639D+00  0.917017D+00 -0.157588D+01
               211           212           213           214           215 
      1  -0.215717D+01 -0.721434D+00  0.245200D+00  0.778207D+00  0.334052D+00
      2  -0.721434D+00 -0.317060D+01  0.164221D+01  0.334052D+00  0.146840D+01
      3   0.245200D+00  0.164221D+01 -0.203803D+01 -0.306806D+00 -0.106149D+01
               216 
      1  -0.306806D+00
      2  -0.106149D+01
      3   0.217661D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.524295D-01  0.300467D+00 -0.230817D+01 -0.789541D+00  0.568076D+00
      2  -0.308703D+00 -0.280865D+00 -0.318671D+00  0.624105D+00  0.169757D+01
      3  -0.236391D+01 -0.303623D+00  0.212112D-01  0.444287D+01  0.164600D+01
                 6             7             8             9            10 
      1   0.130652D+01 -0.124748D+01  0.436048D+01 -0.720467D+01 -0.525872D+00
      2   0.131624D+01 -0.398060D+01  0.441309D+00 -0.515435D+01 -0.189463D+01
      3  -0.364103D+00  0.875600D-01 -0.189671D+01  0.295902D+00 -0.222676D+01
                11            12            13            14            15 
      1  -0.145843D+01 -0.674568D+00  0.380082D+00  0.168566D+00 -0.193996D+01
      2  -0.814529D+00  0.258790D+01 -0.192952D+00 -0.138263D+01 -0.296618D+01
      3  -0.539688D+01 -0.123619D+00  0.439449D+00 -0.517933D-01  0.146543D+01
                16            17            18            19            20 
      1  -0.102803D+01  0.428828D+01 -0.134368D+01  0.125917D+00 -0.353501D+00
      2  -0.121536D+01 -0.136430D+01  0.104607D+02 -0.302904D+00  0.838085D+00
      3  -0.435923D+00  0.237585D+01  0.199228D+01  0.294464D+01 -0.694607D+00
                21            22            23            24            25 
      1   0.280684D+01 -0.289718D+00 -0.192399D+01 -0.196387D+01  0.261858D+01
      2   0.102076D+01 -0.102151D+01  0.723326D+00 -0.548775D+00 -0.479907D+01
      3  -0.352824D+00  0.459237D+01 -0.497614D+01 -0.222311D+01 -0.100552D+00
                26            27            28            29            30 
      1   0.202402D+01  0.618240D+01 -0.214510D+01 -0.864709D+00  0.108810D+01
      2   0.483256D+00 -0.321735D+01 -0.649054D+01  0.361492D+01 -0.839177D+00
      3  -0.110686D+01 -0.270401D+01 -0.714310D+01 -0.896453D+01 -0.647951D+00
                31            32            33            34            35 
      1  -0.812780D+00  0.156448D+00  0.204592D+01  0.155936D+00  0.408256D+01
      2   0.241753D+01 -0.114586D+01 -0.379873D+01 -0.494883D+01  0.294460D+00
      3  -0.591845D+01  0.113706D+01  0.339807D+01  0.211168D+00  0.329628D+01
                36            37            38            39            40 
      1  -0.587536D+00  0.150844D+01  0.893633D-01 -0.182144D+01  0.137670D+01
      2   0.113286D+02  0.344293D+01 -0.840000D+00  0.947778D+01 -0.202753D+01
      3   0.184723D+01 -0.761835D+01 -0.404983D+01  0.146825D+00  0.151558D+02
                41            42            43            44            45 
      1   0.254185D+01 -0.585203D+01  0.204534D+01  0.229260D+01  0.729141D+00
      2  -0.117817D+01  0.176949D+01 -0.483421D+01 -0.131783D+01  0.147780D+00
      3   0.544710D+01 -0.310390D+00 -0.279336D+01 -0.132877D+01 -0.329988D+00
                46            47            48            49            50 
      1   0.653813D+00 -0.874934D+00  0.233496D+01 -0.974152D+00 -0.325518D+01
      2  -0.307739D+01 -0.127875D+01 -0.609609D+01 -0.753841D-01  0.241728D+01
      3   0.587292D+01  0.400784D+01 -0.196381D+00  0.184775D+01 -0.157859D+01
                51            52            53            54            55 
      1  -0.520797D+00  0.196897D+00  0.119675D+01  0.804799D+01 -0.894128D+00
      2   0.167307D+01 -0.655511D+01 -0.567664D+00 -0.921279D+01 -0.593008D+01
      3  -0.180418D+01  0.832292D+00 -0.137958D+01 -0.342888D+01  0.177053D+02
                56            57            58            59            60 
      1   0.355118D+00 -0.421184D+00  0.182618D+01 -0.225198D+01 -0.620965D+01
      2   0.246602D+01  0.184115D+01  0.606536D+00 -0.258055D+01 -0.164426D+01
      3  -0.315554D+01 -0.228018D+00  0.552367D+01  0.661678D+01  0.835813D+00
                61            62            63            64            65 
      1   0.447395D+00  0.772081D+00 -0.286101D+01  0.121329D+01  0.297574D+00
      2  -0.352484D+01 -0.146572D+01 -0.138217D+01  0.102853D+01 -0.447036D+00
      3   0.313549D+01  0.277093D+01  0.110484D+01 -0.804522D-01 -0.174460D+01
                66            67            68            69            70 
      1   0.714476D+00 -0.225607D-01  0.146399D+01 -0.120705D+01  0.798918D+00
      2   0.182307D+01 -0.263196D-01  0.529179D+00 -0.213534D+00 -0.304812D+01
      3  -0.103406D+01  0.854352D+00 -0.276029D+00 -0.791063D+00 -0.258392D+01
                71            72            73            74            75 
      1   0.326706D+01  0.891985D+01  0.615396D+00 -0.130871D+00  0.599757D+00
      2  -0.431594D+00  0.632576D+01  0.462980D+01  0.234011D+01  0.451159D+01
      3  -0.166862D+01 -0.911747D-01  0.104625D+02 -0.212921D+01 -0.244728D+01
                76            77            78            79            80 
      1  -0.128436D+01  0.110062D+01 -0.177466D+01  0.960892D+00  0.268602D+01
      2   0.219716D+01  0.284469D+01 -0.323949D+01 -0.215067D+01 -0.178895D+01
      3   0.795057D+01  0.167395D+02 -0.292567D+01 -0.238647D+01 -0.559383D+01
                81            82            83            84            85 
      1  -0.433336D-01  0.267001D+00  0.862847D+00  0.259915D+00  0.573305D+00
      2   0.218959D+01 -0.302822D+01  0.908533D-01 -0.114589D+01  0.576284D+00
      3   0.138665D+01  0.105919D-01 -0.704808D-01 -0.237183D+00  0.174341D+01
                86            87            88            89            90 
      1  -0.245695D+00 -0.137481D+01  0.189422D+00  0.351490D+01  0.102143D+01
      2  -0.156895D+01  0.136231D+01 -0.453778D+01  0.749869D+00 -0.113997D+02
      3  -0.578137D+00  0.130328D+01 -0.453650D+00  0.214531D+01 -0.492665D+00
                91            92            93            94            95 
      1  -0.190811D+01  0.829367D+00 -0.100686D+01  0.437869D+00 -0.147415D+01
      2   0.130966D+00  0.698511D+00  0.501136D+00  0.105708D+01  0.857297D-02
      3   0.120845D+01 -0.207410D+01  0.121591D+01  0.188801D+00  0.948812D+00
                96            97            98            99           100 
      1  -0.131339D+00 -0.197201D+01  0.388944D+01 -0.741730D+01  0.216194D+01
      2   0.133455D+00 -0.353968D+01  0.402715D+00  0.392961D+01 -0.223366D+00
      3  -0.561620D+00  0.259487D+01 -0.185736D+01  0.128123D+01  0.811274D+01
               101           102           103           104           105 
      1  -0.200996D+01 -0.357626D+01 -0.649200D+00  0.743995D+01 -0.142064D+01
      2  -0.362404D+00  0.440092D+01  0.934738D+00 -0.121651D+01  0.112228D+01
      3  -0.100391D+02 -0.235021D+01 -0.226342D+00  0.104978D+02  0.300156D+01
               106           107           108           109           110 
      1  -0.253736D+01  0.490748D+01  0.332790D+01  0.317470D+01  0.111566D+01
      2  -0.107567D+01  0.635050D+00 -0.130971D+01  0.936682D+01 -0.344312D+01
      3  -0.475544D+01  0.506321D+01  0.206812D+01  0.684906D+01  0.769644D+01
               111           112           113           114           115 
      1  -0.955569D+00  0.149777D+01  0.157409D+01 -0.355194D+01 -0.122765D+01
      2   0.115400D+01 -0.399889D+01  0.870413D+01  0.639329D+01 -0.861251D+01
      3  -0.249771D+00  0.180872D+02 -0.560946D+00 -0.988200D+01  0.741434D+00
               116           117           118           119           120 
      1  -0.234495D+01 -0.220599D+01 -0.668056D-02  0.101316D+01  0.376754D+00
      2   0.689739D+01 -0.412704D+01 -0.240252D+01 -0.239210D+00 -0.129460D+00
      3  -0.985510D+01 -0.585996D+01  0.265867D+00  0.898512D-01  0.260190D+00
               121           122           123           124           125 
      1   0.263983D+00 -0.145030D+01 -0.933861D-01  0.258881D+00  0.450613D+01
      2  -0.724174D-01 -0.213128D+01  0.791588D+00 -0.544960D+01  0.376550D+00
      3   0.235663D+01 -0.163221D+01  0.165128D+01  0.624889D+00  0.228717D+01
               126           127           128           129           130 
      1  -0.101016D+01  0.152709D+01 -0.418123D+00 -0.320092D+01  0.926378D+00
      2  -0.122209D+02 -0.246403D+01 -0.168969D+00  0.435071D+01  0.402953D+00
      3  -0.174435D+01  0.552263D+01 -0.728286D+01 -0.261033D+01  0.403983D+01
               131           132           133           134           135 
      1   0.122284D+02 -0.202173D+01 -0.168000D+01  0.601964D+01  0.551257D+01
      2  -0.432964D+01  0.532824D+00 -0.349560D+00  0.100651D+00 -0.252540D+01
      3   0.104006D+02  0.462558D+01 -0.573179D+01  0.861523D+01  0.315838D+01
               136           137           138           139           140 
      1  -0.190138D+01  0.983977D-01 -0.947920D+00  0.604148D+00 -0.172565D+01
      2   0.127974D+01  0.693904D+00  0.159470D+01  0.812302D+00  0.759370D+00
      3   0.104452D+01 -0.178304D+01  0.168824D+01  0.481320D-01  0.162322D+01
               141           142           143           144           145 
      1   0.577325D+00 -0.777070D+00  0.498349D+01 -0.861332D+01 -0.292528D+00
      2  -0.106382D+01 -0.324259D+01 -0.189920D+00  0.940201D+01  0.484075D+01
      3  -0.104570D+01  0.327435D+01 -0.168833D+01  0.259062D+01 -0.193318D+02
               146           147           148           149           150 
      1  -0.245713D+00  0.295280D+01 -0.119523D+00  0.221118D+00 -0.880818D+00
      2  -0.112248D+01  0.268208D+01 -0.820601D+00  0.714140D+00 -0.812325D+00
      3   0.109714D+00  0.833134D+00  0.204422D+01 -0.227708D+01 -0.580629D+00
               151           152           153           154           155 
      1   0.152860D+01 -0.322462D+00 -0.853933D+00  0.152948D-01  0.587688D-01
      2   0.565091D+00 -0.886813D+00 -0.371325D+00 -0.238690D+01 -0.167191D+01
      3  -0.825247D+00 -0.509867D+00 -0.724381D+00 -0.815879D+01 -0.858137D+01
               156           157           158           159           160 
      1  -0.741154D+00  0.480171D+00 -0.862232D+00 -0.943147D+00 -0.348782D+00
      2   0.378223D+01 -0.246455D+01 -0.257107D+01  0.365512D+01  0.259854D+01
      3   0.183798D+01 -0.799415D+01 -0.143313D+02  0.253663D+01  0.320697D+01
               161           162           163           164           165 
      1   0.785782D+00  0.401802D+00 -0.165015D+01  0.192597D+01  0.149958D+01
      2   0.195937D+01 -0.149472D+01  0.231316D+00  0.462436D-01 -0.533644D+00
      3   0.418295D+01 -0.174846D+01 -0.509155D+01  0.517113D+01  0.178253D+01
               166           167           168           169           170 
      1   0.114178D+01 -0.708520D+01 -0.512237D+01  0.527606D+00 -0.324628D+01
      2  -0.821489D-01  0.725813D+00  0.123094D+01 -0.117933D+01  0.114373D+01
      3   0.644913D+01 -0.142717D+02 -0.231893D+01  0.294171D+01 -0.397178D+01
               171           172           173           174           175 
      1  -0.151689D+01  0.267598D+01  0.286840D+01  0.163550D+01  0.143589D+01
      2   0.312120D+00 -0.643956D+00 -0.608453D+01  0.118282D+02 -0.452813D+01
      3  -0.188666D+01 -0.828745D+01 -0.101509D+02  0.283028D+01 -0.647209D+01
               176           177           178           179           180 
      1   0.383453D+01 -0.361179D+01  0.435447D+00  0.457322D+01  0.493010D+01
      2  -0.234822D+01  0.419759D+01  0.466536D+01 -0.185318D+00  0.123476D+02
      3  -0.594259D+01  0.303256D+00  0.159472D+01  0.108367D+01 -0.232722D+00
               181           182           183           184           185 
      1  -0.203810D+01 -0.158975D+01 -0.359523D+00 -0.179810D+01 -0.317314D+01
      2  -0.807860D+00  0.421490D-01  0.377957D+01  0.105677D+01 -0.277723D+01
      3  -0.827420D+01 -0.827100D+01  0.178086D+01 -0.707123D+01 -0.141521D+02
               186           187           188           189           190 
      1   0.320876D-01  0.303192D+00  0.226593D+01 -0.646293D+00  0.139414D+00
      2   0.405999D+01  0.195599D+01  0.203928D+01 -0.127062D+01 -0.312635D+01
      3   0.445339D+01  0.145839D+01  0.387927D+01 -0.281548D+01  0.240871D+01
               191           192           193           194           195 
      1  -0.104156D+01  0.835063D+00 -0.130287D+01  0.310416D+01 -0.236781D+01
      2   0.126753D+01  0.274547D+01  0.104538D+01 -0.609855D+01 -0.929519D+01
      3  -0.460374D+01 -0.107045D+01 -0.443857D+01  0.133814D+02  0.714628D+01
               196           197           198           199           200 
      1   0.452200D+00  0.146162D+01 -0.171241D+01 -0.375684D+00  0.200782D+01
      2   0.216823D+01 -0.649020D+01 -0.940861D+01  0.842161D+00 -0.210643D+00
      3  -0.141878D+01  0.670671D+01  0.615107D+01 -0.227239D+01  0.416799D+01
               201           202           203           204           205 
      1   0.153617D+01  0.393455D+00 -0.795485D+01 -0.614228D+01  0.248874D+00
      2  -0.135893D+00 -0.711036D+00  0.262618D+01  0.212865D+01 -0.104593D+01
      3   0.150745D+01  0.452633D+01 -0.164686D+02 -0.392390D+01  0.244906D+01
               206           207           208           209           210 
      1  -0.602299D+01 -0.339737D+01 -0.228810D+01 -0.283536D+01 -0.626333D+00
      2   0.263868D+01  0.128437D+01  0.639466D+01  0.493608D+01 -0.544381D+01
      3  -0.731047D+01 -0.353448D+01  0.784101D+01  0.608644D+01 -0.242674D+01
               211           212           213           214           215 
      1  -0.239515D+01 -0.306938D+01 -0.270401D+00  0.250001D+00  0.202521D+01
      2   0.429063D+01  0.757842D+01 -0.678455D+01 -0.320991D+01 -0.407343D+01
      3   0.717644D+01  0.925846D+01 -0.488792D+01 -0.166777D+01 -0.423929D+01
               216 
      1   0.410923D+00
      2   0.626516D+01
      3   0.371688D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.684687D+01 -0.540898D+01 -0.834550D+00 -0.405006D+01  0.577881D+01
      2  -0.300867D+01  0.837568D+01  0.292313D+00  0.632690D+01 -0.138383D+02
      3  -0.383820D+01 -0.296670D+01  0.542237D+00 -0.227684D+01  0.805946D+01
      4  -0.152889D+01 -0.559386D+01  0.702484D-02 -0.100646D+02  0.752826D+01
      5   0.850121D+00 -0.184439D+01 -0.341758D+01 -0.355216D+01  0.127323D+01
      6   0.157293D+01  0.187108D+01  0.555912D+01  0.281985D+01 -0.722647D+01
                 6             7             8             9            10 
      1   0.345160D+01  0.137371D+01  0.423549D+01  0.520445D+01 -0.266401D+02
      2  -0.174282D+01  0.286756D+01 -0.103878D+02  0.299444D+01  0.146693D+02
      3  -0.170879D+01 -0.424128D+01  0.615226D+01 -0.819888D+01  0.119708D+02
      4   0.215626D+01 -0.222345D+01  0.673318D+01  0.502230D+01  0.390129D+01
      5   0.349182D+01 -0.263511D+01  0.321083D+01 -0.159558D+02 -0.592893D+00
      6  -0.761202D+01  0.439744D+01 -0.458793D+01  0.195227D+02 -0.342739D+00
                11            12            13            14            15 
      1  -0.200054D+01  0.202725D+01  0.313344D+01  0.777559D+01 -0.735459D-01
      2   0.444977D+01  0.135029D+01 -0.166603D+01 -0.199621D+01 -0.683120D+00
      3  -0.244923D+01 -0.337754D+01 -0.146741D+01 -0.577937D+01  0.756666D+00
      4   0.574587D+00  0.236308D+00  0.810184D+01  0.124546D+01 -0.196330D+01
      5   0.567361D-01 -0.749901D-02  0.108748D+01 -0.110645D+01 -0.522940D+01
      6   0.591787D+00  0.220701D+01 -0.106155D+01  0.227734D+00  0.150133D+00
                16            17            18            19            20 
      1  -0.456238D+01  0.231510D+01  0.129968D+02 -0.322390D+01  0.494329D+01
      2   0.288650D+01 -0.568916D+01  0.188999D+01  0.863784D+00 -0.971685D+01
      3   0.167588D+01  0.337406D+01 -0.148868D+02  0.236012D+01  0.477355D+01
      4   0.223529D+01 -0.318495D+01 -0.256828D+01 -0.176567D+01 -0.794103D+01
      5   0.667832D+01 -0.275811D+01  0.221536D+02  0.155257D+01  0.289520D+01
      6   0.743735D+00  0.402416D+00  0.546172D+01 -0.397636D+00  0.389763D+01
                21            22            23            24            25 
      1  -0.175379D+01  0.241500D+01 -0.252320D+01 -0.299286D+01  0.122220D+01
      2   0.321742D+00 -0.709810D+01 -0.507350D+00  0.278196D+01  0.374478D+01
      3   0.143205D+01  0.468310D+01  0.303055D+01  0.210897D+00 -0.496697D+01
      4   0.108872D+01 -0.114101D+02 -0.639824D+01  0.128903D+01  0.382090D+01
      5  -0.401406D+01  0.178401D+01  0.307916D+01 -0.395815D+00 -0.209216D+01
      6  -0.573078D+01  0.264907D+01  0.461429D+01 -0.239619D+01 -0.382098D+01
                26            27            28            29            30 
      1  -0.124269D+01 -0.215130D+01 -0.145312D+02  0.731852D+01 -0.534544D+00
      2   0.499172D+01  0.610317D+01  0.685532D+01 -0.856944D+01  0.148031D+01
      3  -0.374904D+01 -0.395187D+01  0.767591D+01  0.125093D+01 -0.945767D+00
      4   0.624623D+01 -0.965754D+00 -0.118473D+01 -0.196980D+01 -0.381518D+00
      5   0.705893D+00 -0.102723D+02 -0.214937D+01 -0.100472D+01 -0.156265D+01
      6   0.155632D+01 -0.153318D+02 -0.111823D+00 -0.261061D+01 -0.765630D+00
                31            32            33            34            35 
      1   0.395229D+01  0.109711D+02 -0.324388D+01 -0.515696D+01 -0.254318D+00
      2  -0.294147D+01 -0.112891D+02 -0.381060D+01  0.266334D+01 -0.667942D+00
      3  -0.101082D+01  0.318013D+00  0.705447D+01  0.249362D+01  0.922260D+00
      4  -0.344333D+01 -0.828784D+01 -0.477381D+01  0.405601D+01 -0.220465D+01
      5   0.186789D+01 -0.718206D+01 -0.792695D+01  0.169969D+00 -0.237391D+01
      6  -0.418119D+01  0.348823D+01 -0.744558D+00 -0.139865D+01  0.128738D+01
                36            37            38            39            40 
      1   0.164292D+02  0.124621D+02 -0.253239D+01  0.153031D+01 -0.102876D+01
      2   0.123220D+02 -0.747390D+01  0.246650D+01 -0.161315D+01  0.184544D+01
      3  -0.287512D+02 -0.498824D+01  0.658865D-01  0.828439D-01 -0.816678D+00
      4  -0.299043D+01 -0.818877D+01  0.135108D+02 -0.158203D+00  0.133745D+02
      5   0.190843D+02  0.240176D+01  0.378105D+00  0.153702D+02 -0.154887D+01
      6  -0.532756D-01  0.119353D+01  0.791092D+00  0.479033D+01  0.118676D+01
                41            42            43            44            45 
      1  -0.120821D+02  0.282210D+01  0.336729D+01  0.194101D+01 -0.425997D+01
      2   0.178061D+02  0.148896D+01 -0.405748D+01 -0.290056D+01 -0.267213D+01
      3  -0.572398D+01 -0.431106D+01  0.690193D+00  0.959547D+00  0.693211D+01
      4  -0.212662D+00  0.727216D+00 -0.555501D+01 -0.846609D+00 -0.189873D+01
      5   0.171054D+01  0.261348D+01  0.485073D+01 -0.147686D+01  0.123576D+01
      6  -0.335960D+00  0.556930D+01 -0.146913D+01  0.466160D+01  0.351139D+00
                46            47            48            49            50 
      1  -0.114471D+02  0.584905D+01  0.217784D+01 -0.321474D+01 -0.387332D+01
      2   0.972305D+01 -0.733633D+01  0.129406D+01 -0.408799D+01 -0.209788D+01
      3   0.172404D+01  0.148728D+01 -0.347190D+01  0.730274D+01  0.597120D+01
      4   0.577669D+01 -0.134390D+02 -0.153603D+01 -0.155334D+02 -0.863906D+01
      5   0.100026D+01 -0.746103D-01 -0.148179D+02  0.181421D+01  0.148601D+01
      6  -0.437538D+00  0.120051D+01 -0.861741D+01  0.474466D+00  0.494911D+01
                51            52            53            54            55 
      1  -0.391164D+01  0.382548D+01 -0.397123D+01  0.381852D+01 -0.150767D+02
      2  -0.104390D+01  0.326699D+01  0.720081D+01  0.149299D+02  0.595801D+01
      3   0.495554D+01 -0.709247D+01 -0.322958D+01 -0.187484D+02  0.911870D+01
      4   0.229834D+01  0.266610D+01  0.567133D+01 -0.205940D+00  0.233377D+02
      5   0.214801D+01 -0.606050D+01  0.929839D+00 -0.193983D+02  0.164314D+01
      6  -0.210711D+01 -0.367251D+01  0.214417D+01 -0.190205D+02  0.194155D+01
                56            57            58            59            60 
      1   0.310523D+01 -0.506743D+00  0.332180D+01 -0.246680D+02 -0.740749D+01
      2  -0.887344D+00  0.164277D+01 -0.593658D+01  0.406562D+02  0.571864D+01
      3  -0.221789D+01 -0.113603D+01  0.261478D+01 -0.159882D+02  0.168885D+01
      4   0.275405D+00  0.438781D+00  0.103611D+02 -0.195682D+02 -0.491936D+01
      5  -0.677429D+00  0.361439D+01  0.212513D+01 -0.350112D+01 -0.215759D+01
      6   0.906278D-01  0.285214D+00 -0.263485D+01  0.127191D+02  0.119843D+02
                61            62            63            64            65 
      1  -0.829040D+00 -0.963334D+01 -0.879237D+01  0.944843D+00  0.652497D+00
      2  -0.146884D+01  0.129596D+02  0.369418D+01 -0.309968D+01 -0.139420D+01
      3   0.229788D+01 -0.332626D+01  0.509819D+01  0.215484D+01  0.741701D+00
      4   0.669698D+01 -0.924370D+01 -0.528589D+01 -0.158396D+01  0.366160D+01
      5   0.529368D+01 -0.518183D+01 -0.337307D+01  0.422268D+01 -0.124739D+01
      6  -0.341521D+01  0.152666D+02  0.787285D+01 -0.359089D+01  0.396171D+00
                66            67            68            69            70 
      1   0.199899D+01  0.966239D+00 -0.370997D+01  0.290160D+01  0.137610D+01
      2  -0.242514D+01 -0.161949D+01  0.290930D+01 -0.300110D+01 -0.266615D+01
      3   0.426152D+00  0.653247D+00  0.800672D+00  0.994985D-01  0.129005D+01
      4  -0.316118D+01  0.328396D+01 -0.270513D+01  0.271517D+01 -0.464741D+01
      5   0.826075D+01 -0.187523D+00  0.263531D+01 -0.145913D+01  0.607980D+01
      6  -0.225924D+01  0.109917D+01 -0.424776D+01  0.757471D+01 -0.348590D+01
                71            72            73            74            75 
      1   0.429730D+01 -0.117225D+02  0.452005D+02 -0.149714D+02  0.307475D+01
      2  -0.369172D+01 -0.110149D+02 -0.274803D+02  0.719181D+01 -0.212187D+01
      3  -0.605584D+00  0.227374D+02 -0.177202D+02  0.777959D+01 -0.952878D+00
      4   0.403913D+01 -0.379006D+01 -0.183740D+02  0.170028D+01  0.297106D+01
      5  -0.258468D+01  0.177135D+02  0.550591D+01  0.398402D+01  0.839484D+01
      6   0.671349D+01 -0.226576D+02  0.572297D+00  0.343021D+00 -0.175227D+01
                76            77            78            79            80 
      1  -0.314731D+02 -0.878038D+01  0.390614D+01  0.166961D+02  0.369148D+01
      2   0.172913D+02  0.751311D+01 -0.194087D+01 -0.902146D+01 -0.171963D+01
      3   0.141818D+02  0.126727D+01 -0.196527D+01 -0.767467D+01 -0.197185D+01
      4  -0.391209D+01 -0.210958D+02  0.584664D+01  0.333861D+01  0.760203D+01
      5   0.492941D+01  0.701891D+01 -0.495022D+01  0.936731D+01 -0.350704D+01
      6   0.185820D+01  0.181761D+01  0.353382D+01 -0.102769D+01  0.223301D+01
                81            82            83            84            85 
      1   0.230312D+01  0.136129D+00  0.327334D+00 -0.572814D+01  0.712326D+00
      2  -0.499968D+01 -0.319716D+01 -0.908965D-01  0.927504D+00 -0.359211D+00
      3   0.269656D+01  0.306103D+01 -0.236437D+00  0.480063D+01 -0.353115D+00
      4  -0.328240D+01 -0.200540D+00  0.147442D+00 -0.293184D+00  0.116214D+00
      5   0.266177D+01 -0.235223D+01 -0.343637D+00  0.319403D+01 -0.111139D+00
      6   0.407607D+00 -0.804144D+00  0.394763D+00 -0.640031D+00  0.933827D-02
                86            87            88            89            90 
      1  -0.471381D+01  0.179023D+01 -0.744000D+01  0.152696D+01 -0.169371D+02
      2   0.525412D+00 -0.783461D-01  0.336983D+01  0.632057D+00 -0.134850D+02
      3   0.418840D+01 -0.171189D+01  0.407017D+01 -0.215902D+01  0.304221D+02
      4   0.129326D+01 -0.228624D+01 -0.907383D+00 -0.392270D+01  0.161087D+01
      5  -0.255040D+01  0.230639D+01  0.355141D+01  0.204676D+01 -0.213896D+02
      6  -0.162911D+01  0.732788D+01 -0.184819D+00  0.380398D+01 -0.499199D+01
                91            92            93            94            95 
      1   0.215019D+01 -0.196801D+01  0.186782D+01 -0.185406D+01 -0.524567D+00
      2  -0.349971D+01  0.270872D+01 -0.133388D+01  0.224789D+01 -0.121668D+01
      3   0.134952D+01 -0.740709D+00 -0.533938D+00 -0.393834D+00  0.174125D+01
      4   0.508320D+00  0.301525D+01  0.143472D+01  0.347580D+01  0.541563D+00
      5   0.345346D+01 -0.453895D+00  0.559960D+01 -0.178414D+00  0.218938D+01
      6   0.212601D+01  0.114719D-01  0.185238D+01  0.603737D+00  0.146200D+01
                96            97            98            99           100 
      1  -0.118527D+01  0.182048D+01 -0.313039D+01 -0.830647D+01  0.118572D+02
      2   0.208099D+01 -0.362474D+01  0.482628D+01 -0.123849D+02 -0.236763D+01
      3  -0.895729D+00  0.180427D+01 -0.169588D+01  0.206914D+02 -0.948952D+01
      4   0.250476D+01  0.256882D+01  0.322729D+01  0.100522D+01  0.191888D+02
      5   0.226682D+00  0.558539D+01 -0.294188D+00  0.131174D+02 -0.451219D+01
      6   0.425205D+01  0.241302D+01  0.278185D+01  0.148238D+02 -0.581122D+01
               101           102           103           104           105 
      1  -0.907801D+01 -0.636569D+00 -0.321656D+01  0.944555D+01  0.612042D+01
      2   0.207043D+02  0.250288D+01  0.114388D+02 -0.100396D+02 -0.848354D+01
      3  -0.116262D+02 -0.186631D+01 -0.822227D+01  0.594098D+00  0.236312D+01
      4   0.219529D+02 -0.397763D+01  0.184969D+02  0.118073D+02 -0.412369D+01
      5  -0.121082D+01  0.829266D+01 -0.123997D+01 -0.700930D+01  0.123668D+01
      6  -0.322458D+01  0.601596D+01 -0.243559D+01 -0.107626D+02  0.673443D+01
               106           107           108           109           110 
      1  -0.192076D+01  0.108818D+02 -0.121250D+01  0.100123D+02 -0.139675D+02
      2   0.285322D+00 -0.173220D+02 -0.229561D+01 -0.723567D+01  0.104309D+02
      3   0.163544D+01  0.644020D+01  0.350811D+01 -0.277666D+01  0.353654D+01
      4  -0.771964D+01 -0.107316D+02  0.613221D+01 -0.119147D+02 -0.140988D+02
      5   0.805186D+01  0.339064D+01 -0.349740D+01  0.783257D+01  0.627455D-01
      6   0.773276D+01  0.893308D+01 -0.736791D+01 -0.169752D+01  0.554744D+01
               111           112           113           114           115 
      1   0.740488D+01 -0.144269D+02 -0.191854D+02  0.307672D+01  0.936848D+01
      2  -0.163974D+01  0.104248D+02  0.677651D+01 -0.595831D+01 -0.342698D+01
      3  -0.576514D+01  0.400206D+01  0.124089D+02  0.288158D+01 -0.594149D+01
      4  -0.187656D+01 -0.243335D+02  0.770972D+01  0.220180D+02 -0.242065D+01
      5  -0.824677D+01 -0.102329D+01  0.252692D+02  0.150898D+02 -0.282520D+02
      6   0.314763D+01  0.934239D+01 -0.921206D+01 -0.989672D+01  0.906753D+01
               116           117           118           119           120 
      1   0.292493D+01 -0.123362D+02  0.138016D+01 -0.144594D+00 -0.454060D+01
      2  -0.267870D+01  0.489821D+01 -0.459402D+01  0.146374D+00  0.132785D+01
      3  -0.246235D+00  0.743797D+01  0.321386D+01 -0.177994D-02  0.321275D+01
      4   0.179594D+02  0.178523D+02 -0.199793D+00  0.141423D+01  0.111458D+01
      5   0.173128D+02 -0.296193D+01 -0.382977D+01  0.127495D+00  0.634966D+01
      6  -0.164653D+02 -0.447023D+01  0.516572D+00  0.630022D+00 -0.357661D+00
               121           122           123           124           125 
      1   0.131190D+00 -0.521157D+01  0.658933D+00 -0.405194D+01  0.112797D+01
      2  -0.482734D+00  0.741776D+00  0.179218D+01  0.509826D+01  0.837607D+00
      3   0.351544D+00  0.446980D+01 -0.245112D+01 -0.104633D+01 -0.196557D+01
      4   0.142880D+01  0.162255D+01 -0.200027D+01  0.113671D+01 -0.251876D+01
      5  -0.555252D+00 -0.263025D+01  0.208865D+01  0.700946D+01  0.130081D+01
      6   0.174089D+00 -0.315004D+00  0.750224D+01  0.664754D+00  0.490189D+01
               126           127           128           129           130 
      1  -0.215979D+02  0.101365D+02 -0.765105D+01 -0.281876D+01 -0.397079D+00
      2  -0.190856D+02  0.907006D+00  0.193708D+02  0.392899D+01  0.940586D+01
      3   0.406835D+02 -0.110435D+02 -0.117197D+02 -0.111023D+01 -0.900878D+01
      4   0.156236D+01  0.162808D+02  0.221312D+02 -0.326429D+01  0.193408D+02
      5  -0.212023D+02 -0.260518D+01  0.649590D+00  0.711717D+01 -0.310631D+00
      6   0.239730D+01 -0.383984D+01  0.152136D+01  0.570703D+01  0.206405D+00
               131           132           133           134           135 
      1   0.147987D+02  0.105699D+02 -0.446799D+01  0.173817D+02  0.127562D+01
      2  -0.160135D+02 -0.144890D+02  0.490471D+00 -0.300707D+02 -0.608604D+01
      3   0.121486D+01  0.391918D+01  0.397752D+01  0.126889D+02  0.481043D+01
      4   0.958171D+01 -0.562645D+01 -0.938613D+01 -0.161375D+02  0.369141D+01
      5  -0.711116D+01  0.580150D+00  0.695121D+01  0.261432D+00 -0.444672D+01
      6  -0.201659D+02  0.367193D+01  0.589388D+01  0.288931D+01 -0.982408D+01
               136           137           138           139           140 
      1   0.176556D+01 -0.301861D+00  0.207589D+01 -0.109812D+01 -0.210359D+01
      2  -0.496867D+01  0.322776D+00 -0.271026D+01  0.197420D+01 -0.823151D+00
      3   0.320310D+01 -0.209159D-01  0.634372D+00 -0.876078D+00  0.292674D+01
      4   0.144973D+01  0.343107D+01  0.346742D+01  0.337176D+01  0.359231D+00
      5   0.572314D+01  0.101909D+01  0.995302D+01 -0.540650D+00  0.289248D+01
      6   0.356741D+01  0.968423D+00  0.264803D+01  0.978945D+00  0.220668D+01
               141           142           143           144           145 
      1  -0.112037D+01  0.403675D+00 -0.257267D+01 -0.143438D+02  0.236893D+02
      2   0.394406D+01 -0.428583D+01  0.338954D+01 -0.187039D+02 -0.406763D+01
      3  -0.282370D+01  0.388216D+01 -0.816872D+00  0.330477D+02 -0.196216D+02
      4   0.230557D+01  0.550732D+01  0.520993D+01  0.222650D+01 -0.379969D+02
      5  -0.225480D+01  0.981211D+01  0.173187D+01  0.218958D+02 -0.646312D+01
      6   0.491035D+01  0.431648D+01  0.549779D+01  0.205364D+02  0.227249D+01
               146           147           148           149           150 
      1  -0.325526D+01 -0.372998D+00 -0.200520D+01  0.976131D+00  0.186686D+00
      2  -0.760489D+01 -0.786867D-01 -0.349482D+01  0.481212D+01 -0.104434D+00
      3   0.108602D+02  0.451685D+00  0.550002D+01 -0.578825D+01 -0.822520D-01
      4   0.212547D+02  0.385146D+01  0.114081D+02 -0.807219D+01 -0.739332D+00
      5   0.316413D+01  0.459806D+01  0.116123D+01 -0.568982D+00 -0.168486D+01
      6  -0.305144D+01 -0.510657D+01 -0.121176D+01  0.546612D+00  0.176547D+01
               151           152           153           154           155 
      1   0.102829D+01  0.130281D+00  0.730443D+00  0.331478D+02  0.149355D+02
      2   0.115775D+00 -0.755884D+00 -0.881632D+00 -0.169751D+02 -0.744443D+01
      3  -0.114407D+01  0.625603D+00  0.151189D+00 -0.161727D+02 -0.749110D+01
      4  -0.851903D+00  0.544855D+00 -0.384621D+01  0.157719D+02  0.144963D+02
      5   0.499436D+01 -0.232986D+01 -0.131934D+01 -0.604311D+01 -0.349384D+01
      6  -0.354874D+01  0.346552D+01  0.199439D+01 -0.118749D+01 -0.791672D+00
               156           157           158           159           160 
      1  -0.506200D+01  0.277096D+02  0.143341D+02 -0.423088D+01 -0.903969D+01
      2   0.238299D+01 -0.141449D+02 -0.521373D+01  0.214606D+01  0.546966D+01
      3   0.267901D+01 -0.135647D+02 -0.912037D+01  0.208482D+01  0.357003D+01
      4  -0.297823D+01  0.194731D+02  0.201075D+02 -0.502954D+01 -0.506021D+01
      5   0.680989D+01 -0.574164D+01 -0.557163D+01  0.582602D+01  0.928046D+01
      6   0.908990D+00 -0.189678D+01 -0.155635D+01  0.143453D+01  0.186768D+01
               161           162           163           164           165 
      1  -0.468387D+01  0.541111D+01 -0.217666D+01  0.835380D+01  0.329608D+00
      2   0.272714D+01 -0.416440D+01  0.371849D+01 -0.122251D+02 -0.147262D+01
      3   0.195673D+01 -0.124670D+01 -0.154183D+01  0.387128D+01  0.114301D+01
      4  -0.606328D+01  0.409866D+01 -0.143224D+01  0.689606D+00  0.111581D+01
      5   0.468393D+01 -0.354318D+01  0.578995D+00 -0.107827D+01 -0.874164D+00
      6   0.256889D+01 -0.139261D+01  0.139427D+01  0.250304D+00 -0.126915D+01
               166           167           168           169           170 
      1   0.350169D+01 -0.281486D+02 -0.231492D+01  0.787706D+00 -0.688350D+01
      2  -0.250002D+01  0.492013D+02  0.578309D+01 -0.610323D+00  0.117557D+02
      3  -0.100167D+01 -0.210526D+02 -0.346816D+01 -0.177383D+00 -0.487215D+01
      4   0.622209D+01  0.135603D+02  0.100941D+01  0.198746D+01  0.407886D+01
      5  -0.114755D+01  0.326982D+01  0.277060D+01  0.818132D+00  0.247087D+01
      6  -0.750814D+00  0.115574D+01  0.636585D+01 -0.565686D+00  0.711943D+01
               171           172           173           174           175 
      1  -0.479173D+01  0.300381D+02  0.929075D+01  0.326898D+01  0.122781D+02
      2   0.517865D+01 -0.182560D+02 -0.754245D+01 -0.541390D+01 -0.971285D+01
      3  -0.386917D+00 -0.117821D+02 -0.174829D+01  0.214492D+01 -0.256521D+01
      4   0.126889D+01 -0.381388D+01  0.135417D+02 -0.673639D+01  0.123925D+02
      5   0.615127D+00  0.159318D+02 -0.410357D+01  0.186191D+02 -0.186071D+01
      6   0.168917D+01 -0.430090D+00  0.801156D+01 -0.689765D+01  0.570113D+01
               176           177           178           179           180 
      1   0.136877D+02 -0.485103D+01  0.647624D+01 -0.732866D+01  0.836917D+01
      2  -0.614198D+01  0.203537D+01 -0.709074D+01  0.249815D+01 -0.179314D+02
      3  -0.754576D+01  0.281566D+01  0.614500D+00  0.483050D+01  0.956221D+01
      4   0.278014D+01  0.284930D+01 -0.710822D+01  0.915402D+00 -0.871368D+01
      5   0.413146D+01  0.420624D+01  0.291644D+02 -0.792500D+01  0.265341D+02
      6   0.376309D+01  0.749745D+00 -0.903211D+01  0.951230D+01 -0.273844D+01
               181           182           183           184           185 
      1   0.322660D+02  0.160029D+02 -0.705171D+01  0.255883D+02  0.138026D+02
      2  -0.174092D+02 -0.857137D+01  0.407409D+01 -0.143706D+02 -0.528712D+01
      3  -0.148568D+02 -0.743150D+01  0.297761D+01 -0.112177D+02 -0.851550D+01
      4   0.146394D+02  0.133854D+02 -0.273485D+01  0.164396D+02  0.205161D+02
      5  -0.107160D+02 -0.469593D+01  0.930544D+01 -0.738305D+01 -0.102602D+02
      6  -0.132941D+01 -0.257459D+01  0.148351D+00 -0.310635D+01 -0.241852D+01
               186           187           188           189           190 
      1  -0.443989D+01 -0.797268D+01 -0.210582D+01  0.647625D+01  0.128098D+02
      2   0.354512D+01  0.566475D+01  0.237490D+01 -0.554371D+01 -0.457639D+01
      3   0.894769D+00  0.230793D+01 -0.269076D+00 -0.932539D+00 -0.823342D+01
      4  -0.838364D+01 -0.250902D+01 -0.641546D+01  0.460729D+01 -0.131129D+02
      5   0.820220D+01  0.124779D+02  0.615886D+01 -0.633959D+01 -0.126557D+02
      6   0.253622D+01  0.890674D+00  0.384227D+01 -0.198347D+01  0.571846D+01
               191           192           193           194           195 
      1  -0.770085D+01 -0.829929D+01 -0.112528D+02  0.404246D+01  0.123876D+00
      2   0.189520D+01  0.411885D+01  0.158133D+01  0.843354D+01  0.310299D+01
      3   0.580565D+01  0.418044D+01  0.967150D+01 -0.124760D+02 -0.322687D+01
      4   0.137753D+02  0.717950D+01  0.239589D+02 -0.323660D+02 -0.181366D+02
      5   0.671911D+01  0.103436D+02  0.122498D+02 -0.193021D+02 -0.207273D+02
      6  -0.415056D+01 -0.400847D+01 -0.830238D+01  0.158108D+02  0.144707D+02
               196           197           198           199           200 
      1  -0.912739D+01  0.129091D+00  0.178297D+01 -0.120539D+01  0.103414D+02
      2   0.535135D+01  0.124865D+01 -0.287006D+01  0.342102D+01 -0.142707D+02
      3   0.377603D+01 -0.137774D+01  0.108708D+01 -0.221563D+01  0.392924D+01
      4   0.107595D+02 -0.152164D+02 -0.162388D+02  0.147165D+01  0.331351D+01
      5   0.167823D+02 -0.170558D+02 -0.232103D+02  0.906290D+00 -0.228904D+00
      6  -0.739929D+01  0.129410D+02  0.141012D+02  0.209609D+01 -0.383059D+01
               201           202           203           204           205 
      1   0.251970D+01  0.316447D+01 -0.345358D+02 -0.767806D+01  0.172470D+01
      2  -0.330805D+01 -0.877468D+00  0.603696D+02  0.125803D+02 -0.905371D+00
      3   0.788348D+00 -0.228700D+01 -0.258338D+02 -0.490227D+01 -0.819328D+00
      4   0.132978D+01  0.711456D+01  0.215561D+02  0.359975D+01  0.319372D+01
      5   0.286635D+00  0.511900D-02  0.642096D+01  0.419646D+01  0.126631D+01
      6  -0.227839D+01 -0.296933D+00  0.160775D+02  0.101989D+02 -0.603270D-01
               206           207           208           209           210 
      1  -0.154130D+02 -0.840593D+01 -0.129565D+02 -0.105394D+02  0.746577D+01
      2   0.239320D+02  0.105775D+02  0.830081D+01  0.679094D+01 -0.232839D+01
      3  -0.851891D+01 -0.217159D+01  0.465569D+01  0.374846D+01 -0.513738D+01
      4   0.907075D+01  0.371384D+01  0.171091D+00 -0.529888D+01  0.300310D+01
      5   0.579451D+01  0.264558D+01 -0.148159D+01  0.154139D+01 -0.629209D+01
      6   0.154924D+02  0.761579D+01 -0.299129D+01 -0.628320D+01  0.641321D+01
               211           212           213           214           215 
      1  -0.136572D+02 -0.148389D+02  0.774818D+01  0.629731D+01  0.654295D+01
      2   0.835621D+01  0.132929D+02 -0.547675D+01 -0.291773D+01 -0.358354D+01
      3   0.530103D+01  0.154604D+01 -0.227143D+01 -0.337958D+01 -0.295941D+01
      4   0.102568D+01 -0.116637D+02  0.686435D+01  0.421594D+00  0.518723D+01
      5  -0.164341D+01  0.541716D+01 -0.819710D+01  0.154398D+01 -0.331144D+01
      6  -0.302377D+01 -0.108285D+02  0.890020D+01  0.229346D+01  0.696830D+01
               216 
      1  -0.785738D+01
      2   0.161350D+01
      3   0.624389D+01
      4  -0.300570D+01
      5   0.745452D+01
      6  -0.680203D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.136015D+01      0.345715D+01      0.115318D+02
   x         -0.950150D+00     -0.241504D+01     -0.805570D+01
   y         -0.753182D+00     -0.191440D+01     -0.638574D+01
   z         -0.616387D+00     -0.156670D+01     -0.522595D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.929469D+02      0.137733D+02      0.153249D+02
   aniso      0.213822D+02      0.316851D+01      0.352545D+01
   xx         0.102931D+03      0.152528D+02      0.169710D+02
   yx         0.159990D+01      0.237081D+00      0.263788D+00
   yy         0.962713D+02      0.142659D+02      0.158730D+02
   zx        -0.238553D+01     -0.353498D+00     -0.393320D+00
   zy         0.473170D+00      0.701166D-01      0.780152D-01
   zz         0.796384D+02      0.118012D+02      0.131306D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.100498D+03      0.148923D+02      0.165700D+02
   aniso      0.215841D+02      0.319844D+01      0.355874D+01
   xx         0.110689D+03      0.164025D+02      0.182502D+02
   yx         0.120037D+01      0.177876D+00      0.197914D+00
   yy         0.103930D+03      0.154008D+02      0.171357D+02
   zx        -0.179842D+01     -0.266499D+00     -0.296520D+00
   zy         0.140199D+00      0.207754D-01      0.231157D-01
   zz         0.868762D+02      0.128737D+02      0.143240D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6         -1.39912675         -2.33431250         -0.04836402
     6         -2.30070132         -0.37188228          1.83434586
     6          0.29378760         -1.13896378         -2.03439620
     6          2.43542261          0.33495594         -0.77793958
     8          1.42932261          2.10928497          1.00144991
     6         -0.02703671          0.99390709          2.94675882
     8         -3.44426995         -3.50862369         -1.33194071
     1         -0.29941926         -3.76670575          0.97659628
     8         -3.71124891         -1.65924929          3.71916855
     1         -3.47132257          1.03635577          0.86578007
     1         -0.83204797          0.17328991         -3.17245860
     8          1.41355402         -3.01318805         -3.58987134
     6          3.98327536          1.87221410         -2.64395036
     1          3.68737216         -1.01074969          0.18802768
     8         -0.93666660          2.89708927          4.52422072
     1          1.15953638         -0.35088512          4.00280117
     1         -4.57680800         -4.18144818         -0.07174569
     1         -4.31416890         -0.42232833          4.91377704
     1          0.06420821         -4.05384447         -4.23818998
     8          2.52259535          3.76229577         -3.85298949
     1          4.69744744          0.62466809         -4.11594978
     1          5.59227212          2.70631076         -1.63962307
     1          0.46053870          3.65610318          5.41331163
     1          1.73239876          4.75285329         -2.54136350

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.136015D+01      0.345715D+01      0.115318D+02
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.136015D+01      0.345715D+01      0.115318D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.929469D+02      0.137733D+02      0.153249D+02
   aniso      0.213822D+02      0.316851D+01      0.352545D+01
   xx         0.929163D+02      0.137688D+02      0.153198D+02
   yx         0.641705D+01      0.950909D+00      0.105803D+01
   yy         0.898541D+02      0.133150D+02      0.148149D+02
   zx        -0.885236D+01     -0.131178D+01     -0.145956D+01
   zy         0.481622D+01      0.713690D+00      0.794088D+00
   zz         0.960701D+02      0.142361D+02      0.158398D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.100498D+03      0.148923D+02      0.165700D+02
   aniso      0.215841D+02      0.319844D+01      0.355874D+01
   xx         0.998863D+02      0.148016D+02      0.164690D+02
   yx         0.680744D+01      0.100876D+01      0.112239D+01
   yy         0.980226D+02      0.145254D+02      0.161617D+02
   zx        -0.901840D+01     -0.133639D+01     -0.148693D+01
   zy         0.442701D+01      0.656015D+00      0.729916D+00
   zz         0.103586D+03      0.153499D+02      0.170791D+02

 ----------------------------------------------------------------------
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 00285,0.00000050,-0.00000431,-0.00000014,0.00000456\\\@


 IF YOU GET CONFUSED, LOGIC OUT YOUR DILEMMA

           --  PICKER X-RAY CORP.    DIGITAL PRINTER MANUAL CA. 1964
 Job cpu time:       0 days  4 hours 13 minutes 49.5 seconds.
 Elapsed time:       0 days  0 hours 31 minutes 47.9 seconds.
 File lengths (MBytes):  RWF=    411 Int=      0 D2E=      0 Chk=     15 Scr=      2
 Normal termination of Gaussian 16 at Mon Sep 27 11:44:34 2021.
